4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide

C177H227F9N28O16S16 — CID 160749723

IUPAC4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)NC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CCS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CN(C)S(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1ccccc1F.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccnc1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)N1CCCCC1
InChIInChI=1S/C25H27F2N3O2S2.C24H27FN4O2S2.C24H33FN4O2S2.C22H31FN4O2S2.C21H29FN4O2S2.C21H28FN3O2S2.2C20H26FN3O2S2/c26-18-11-10-17-4-3-6-22-24(20(17)14-18)29-25(33-22)28-15-16-8-12-19(13-9-16)30-34(31,32)23-7-2-1-5-21(23)27;25-18-9-8-17-3-1-5-22-23(21(17)13-18)28-24(32-22)27-14-16-6-10-19(11-7-16)29-33(30,31)20-4-2-12-26-15-20;25-19-10-9-18-5-4-6-22-23(21(18)15-19)28-24(32-22)27-20-11-7-17(8-12-20)16-26-33(30,31)29-13-2-1-3-14-29;1-3-27(4-2)31(28,29)26-18-12-10-17(11-13-18)24-22-25-21-19-14-16(23)9-8-15(19)6-5-7-20(21)30-22;1-26(2)30(27,28)23-13-14-6-10-17(11-7-14)24-21-25-20-18-12-16(22)9-8-15(18)4-3-5-19(20)29-21;1-2-29(26,27)25-17-10-6-14(7-11-17)13-23-21-24-20-18-12-16(22)9-8-15(18)4-3-5-19(20)28-21;1-28(25,26)22-12-13-5-9-16(10-6-13)23-20-24-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20;1-28(25,26)24-16-9-5-13(6-10-16)12-22-20-23-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20/h1-2,5,7,10-11,14,16,19,30H,3-4,6,8-9,12-13,15H2,(H,28,29);2,4,8-9,12-13,15-16,19,29H,1,3,5-7,10-11,14H2,(H,27,28);9-10,15,17,20,26H,1-8,11-14,16H2,(H,27,28);8-9,14,17-18,26H,3-7,10-13H2,1-2H3,(H,24,25);8-9,12,14,17,23H,3-7,10-11,13H2,1-2H3,(H,24,25);8-9,12,14,17,25H,2-7,10-11,13H2,1H3,(H,23,24);7-8,11,13,16,22H,2-6,9-10,12H2,1H3,(H,23,24);7-8,11,13,16,24H,2-6,9-10,12H2,1H3,(H,22,23)
InChIKeyRWQQSMJQLKTCTN-UHFFFAOYSA-N
MW3687.00 g/mol
LogP35.44
Rot. Bonds47

About 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide

4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide (PubChem CID 160749723) has the molecular formula C177H227F9N28O16S16 and a molecular weight of 3687.00 g/mol. Its IUPAC name is 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide
PubChem CID160749723
Molecular FormulaC177H227F9N28O16S16
Molecular Weight3687.00 g/mol
Exact Mass3683.32
IUPAC Name4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)NC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CCS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CN(C)S(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1ccccc1F.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccnc1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)N1CCCCC1
InChIInChI=1S/C25H27F2N3O2S2.C24H27FN4O2S2.C24H33FN4O2S2.C22H31FN4O2S2.C21H29FN4O2S2.C21H28FN3O2S2.2C20H26FN3O2S2/c26-18-11-10-17-4-3-6-22-24(20(17)14-18)29-25(33-22)28-15-16-8-12-19(13-9-16)30-34(31,32)23-7-2-1-5-21(23)27;25-18-9-8-17-3-1-5-22-23(21(17)13-18)28-24(32-22)27-14-16-6-10-19(11-7-16)29-33(30,31)20-4-2-12-26-15-20;25-19-10-9-18-5-4-6-22-23(21(18)15-19)28-24(32-22)27-20-11-7-17(8-12-20)16-26-33(30,31)29-13-2-1-3-14-29;1-3-27(4-2)31(28,29)26-18-12-10-17(11-13-18)24-22-25-21-19-14-16(23)9-8-15(19)6-5-7-20(21)30-22;1-26(2)30(27,28)23-13-14-6-10-17(11-7-14)24-21-25-20-18-12-16(22)9-8-15(18)4-3-5-19(20)29-21;1-2-29(26,27)25-17-10-6-14(7-11-17)13-23-21-24-20-18-12-16(22)9-8-15(18)4-3-5-19(20)28-21;1-28(25,26)22-12-13-5-9-16(10-6-13)23-20-24-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20;1-28(25,26)24-16-9-5-13(6-10-16)12-22-20-23-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20/h1-2,5,7,10-11,14,16,19,30H,3-4,6,8-9,12-13,15H2,(H,28,29);2,4,8-9,12-13,15-16,19,29H,1,3,5-7,10-11,14H2,(H,27,28);9-10,15,17,20,26H,1-8,11-14,16H2,(H,27,28);8-9,14,17-18,26H,3-7,10-13H2,1-2H3,(H,24,25);8-9,12,14,17,23H,3-7,10-11,13H2,1-2H3,(H,24,25);8-9,12,14,17,25H,2-7,10-11,13H2,1H3,(H,23,24);7-8,11,13,16,22H,2-6,9-10,12H2,1H3,(H,23,24);7-8,11,13,16,24H,2-6,9-10,12H2,1H3,(H,22,23)
InChIKeyRWQQSMJQLKTCTN-UHFFFAOYSA-N
XLogP35.44
TPSA591.33 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003687.00
LogP ≤ 535.44
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Analyze 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide with MolForge

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What is the IUPAC name of 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide?
The IUPAC name of 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide (CID 160749723) is 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)NC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CCS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CN(C)S(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.CS(=O)(=O)NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1ccccc1F.O=S(=O)(NC1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccnc1.O=S(=O)(NCC1CCC(Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)N1CCCCC1.
What is the InChIKey of 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide?
The InChIKey is RWQQSMJQLKTCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O2S2.C24H27FN4O2S2.C24H33FN4O2S2.C22H31FN4O2S2.C21H29FN4O2S2.C21H28FN3O2S2.2C20H26FN3O2S2/c26-18-11-10-17-4-3-6-22-24(20(17)14-18)29-25(33-22)28-15-16-8-12-19(13-9-16)30-34(31,32)23-7-2-1-5-21(23)27;25-18-9-8-17-3-1-5-22-23(21(17)13-18)28-24(32-22)27-14-16-6-10-19(11-7-16)29-33(30,31)20-4-2-12-26-15-20;25-19-10-9-18-5-4-6-22-23(21(18)15-19)28-24(32-22)27-20-11-7-17(8-12-20)16-26-33(30,31)29-13-2-1-3-14-29;1-3-27(4-2)31(28,29)26-18-12-10-17(11-13-18)24-22-25-21-19-14-16(23)9-8-15(19)6-5-7-20(21)30-22;1-26(2)30(27,28)23-13-14-6-10-17(11-7-14)24-21-25-20-18-12-16(22)9-8-15(18)4-3-5-19(20)29-21;1-2-29(26,27)25-17-10-6-14(7-11-17)13-23-21-24-20-18-12-16(22)9-8-15(18)4-3-5-19(20)28-21;1-28(25,26)22-12-13-5-9-16(10-6-13)23-20-24-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20;1-28(25,26)24-16-9-5-13(6-10-16)12-22-20-23-19-17-11-15(21)8-7-14(17)3-2-4-18(19)27-20/h1-2,5,7,10-11,14,16,19,30H,3-4,6,8-9,12-13,15H2,(H,28,29);2,4,8-9,12-13,15-16,19,29H,1,3,5-7,10-11,14H2,(H,27,28);9-10,15,17,20,26H,1-8,11-14,16H2,(H,27,28);8-9,14,17-18,26H,3-7,10-13H2,1-2H3,(H,24,25);8-9,12,14,17,23H,3-7,10-11,13H2,1-2H3,(H,24,25);8-9,12,14,17,25H,2-7,10-11,13H2,1H3,(H,23,24);7-8,11,13,16,22H,2-6,9-10,12H2,1H3,(H,23,24);7-8,11,13,16,24H,2-6,9-10,12H2,1H3,(H,22,23).
What are the key properties of 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide?
4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide has a molecular weight of 3687.00 g/mol, XLogP of 35.44, 47 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylsulfamoylamino)cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]amino]-13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;2-fluoro-N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]benzenesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]methanesulfonamide;N-[[4-[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]cyclohexyl]methyl]piperidine-1-sulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]ethanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]methanesulfonamide;N-[4-[[(13-fluoro-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-yl)amino]methyl]cyclohexyl]pyridine-3-sulfonamide is sourced from PubChem (CID 160749723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).