tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide

C128H130ClF6N7O20S6 — CID 167537589

IUPACtert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1c(F)ccc(-c2ccccc2)c1C.Cc1c(-c2ccccc2)ccc(F)c1C(=O)CNS(=O)(=O)c1ccccc1Cl.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1F.Cc1cccc(-c2cccc(C(=O)CNS(=O)(=O)c3ccccc3)c2F)c1.Cc1cccc(S(=O)(=O)NCC(=O)c2cccc(-c3ccccc3)c2F)c1
InChIInChI=1S/C26H33FN2O5S.C22H26FNO3S.C21H17ClFNO3S.2C21H18FNO3S.C17H18FNO3S/c1-18-14-21(20-8-6-5-7-9-20)15-22(24(18)27)23(30)16-28-35(32,33)17-19-10-12-29(13-11-19)25(31)34-26(2,3)4;1-16-12-19(18-10-6-3-7-11-18)13-20(22(16)23)21(25)14-24-28(26,27)15-17-8-4-2-5-9-17;1-14-16(15-7-3-2-4-8-15)11-12-18(23)21(14)19(25)13-24-28(26,27)20-10-6-5-9-17(20)22;1-15-7-5-8-16(13-15)18-11-6-12-19(21(18)22)20(24)14-23-27(25,26)17-9-3-2-4-10-17;1-15-7-5-10-17(13-15)27(25,26)23-14-20(24)19-12-6-11-18(21(19)22)16-8-3-2-4-9-16;1-3-23(21,22)19-11-16(20)17-12(2)14(9-10-15(17)18)13-7-5-4-6-8-13/h5-9,14-15,19,28H,10-13,16-17H2,1-4H3;3,6-7,10-13,17,24H,2,4-5,8-9,14-15H2,1H3;2-12,24H,13H2,1H3;2*2-13,23H,14H2,1H3;4-10,19H,3,11H2,1-2H3
InChIKeyATCUAXURUSJSMD-UHFFFAOYSA-N
MW2428.32 g/mol
LogP24.50
Rot. Bonds38

About tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide

tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide (PubChem CID 167537589) has the molecular formula C128H130ClF6N7O20S6 and a molecular weight of 2428.32 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
PubChem CID167537589
Molecular FormulaC128H130ClF6N7O20S6
Molecular Weight2428.32 g/mol
Exact Mass2425.73
IUPAC Nametert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1c(F)ccc(-c2ccccc2)c1C.Cc1c(-c2ccccc2)ccc(F)c1C(=O)CNS(=O)(=O)c1ccccc1Cl.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1F.Cc1cccc(-c2cccc(C(=O)CNS(=O)(=O)c3ccccc3)c2F)c1.Cc1cccc(S(=O)(=O)NCC(=O)c2cccc(-c3ccccc3)c2F)c1
InChIInChI=1S/C26H33FN2O5S.C22H26FNO3S.C21H17ClFNO3S.2C21H18FNO3S.C17H18FNO3S/c1-18-14-21(20-8-6-5-7-9-20)15-22(24(18)27)23(30)16-28-35(32,33)17-19-10-12-29(13-11-19)25(31)34-26(2,3)4;1-16-12-19(18-10-6-3-7-11-18)13-20(22(16)23)21(25)14-24-28(26,27)15-17-8-4-2-5-9-17;1-14-16(15-7-3-2-4-8-15)11-12-18(23)21(14)19(25)13-24-28(26,27)20-10-6-5-9-17(20)22;1-15-7-5-8-16(13-15)18-11-6-12-19(21(18)22)20(24)14-23-27(25,26)17-9-3-2-4-10-17;1-15-7-5-10-17(13-15)27(25,26)23-14-20(24)19-12-6-11-18(21(19)22)16-8-3-2-4-9-16;1-3-23(21,22)19-11-16(20)17-12(2)14(9-10-15(17)18)13-7-5-4-6-8-13/h5-9,14-15,19,28H,10-13,16-17H2,1-4H3;3,6-7,10-13,17,24H,2,4-5,8-9,14-15H2,1H3;2-12,24H,13H2,1H3;2*2-13,23H,14H2,1H3;4-10,19H,3,11H2,1-2H3
InChIKeyATCUAXURUSJSMD-UHFFFAOYSA-N
XLogP24.50
TPSA408.98 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.32
LogP ≤ 524.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The IUPAC name of tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide (CID 167537589) is tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide is CCS(=O)(=O)NCC(=O)c1c(F)ccc(-c2ccccc2)c1C.Cc1c(-c2ccccc2)ccc(F)c1C(=O)CNS(=O)(=O)c1ccccc1Cl.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCCCC2)c1F.Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)c1F.Cc1cccc(-c2cccc(C(=O)CNS(=O)(=O)c3ccccc3)c2F)c1.Cc1cccc(S(=O)(=O)NCC(=O)c2cccc(-c3ccccc3)c2F)c1.
What is the InChIKey of tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
The InChIKey is ATCUAXURUSJSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O5S.C22H26FNO3S.C21H17ClFNO3S.2C21H18FNO3S.C17H18FNO3S/c1-18-14-21(20-8-6-5-7-9-20)15-22(24(18)27)23(30)16-28-35(32,33)17-19-10-12-29(13-11-19)25(31)34-26(2,3)4;1-16-12-19(18-10-6-3-7-11-18)13-20(22(16)23)21(25)14-24-28(26,27)15-17-8-4-2-5-9-17;1-14-16(15-7-3-2-4-8-15)11-12-18(23)21(14)19(25)13-24-28(26,27)20-10-6-5-9-17(20)22;1-15-7-5-8-16(13-15)18-11-6-12-19(21(18)22)20(24)14-23-27(25,26)17-9-3-2-4-10-17;1-15-7-5-10-17(13-15)27(25,26)23-14-20(24)19-12-6-11-18(21(19)22)16-8-3-2-4-9-16;1-3-23(21,22)19-11-16(20)17-12(2)14(9-10-15(17)18)13-7-5-4-6-8-13/h5-9,14-15,19,28H,10-13,16-17H2,1-4H3;3,6-7,10-13,17,24H,2,4-5,8-9,14-15H2,1H3;2-12,24H,13H2,1H3;2*2-13,23H,14H2,1H3;4-10,19H,3,11H2,1-2H3.
What are the key properties of tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide?
tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide has a molecular weight of 2428.32 g/mol, XLogP of 24.50, 38 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoylmethyl]piperidine-1-carboxylate;2-chloro-N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]benzenesulfonamide;1-cyclohexyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide;N-[2-[2-fluoro-3-(3-methylphenyl)phenyl]-2-oxoethyl]benzenesulfonamide;N-[2-(6-fluoro-2-methyl-3-phenylphenyl)-2-oxoethyl]ethanesulfonamide;N-[2-(2-fluoro-3-phenylphenyl)-2-oxoethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 167537589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).