5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C148H171Cl7F16N28O14S14 — CID 160602720

IUPAC5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.C[C@H]1CC[C@H](Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)[C@@H](N(C)C)C1.Cc1cccc([C@@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1.Cc1cccc([C@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1
InChIInChI=1S/2C24H25ClF4N4O2S2.2C24H28ClFN4O2S2.C18H21ClF4N4O2S2.C18H24ClFN4O2S2.C16H20ClFN4O2S2/c2*1-33(2)21-11-15(14-4-3-5-16(10-14)24(27,28)29)6-7-19(21)31-20-13-18(26)22(12-17(20)25)37(34,35)32-23-30-8-9-36-23;2*1-15-5-4-6-16(11-15)17-7-8-22(30(2)3)21(12-17)28-20-14-19(26)23(13-18(20)25)34(31,32)29-24-27-9-10-33-24;1-27(2)15-4-3-10(18(21,22)23)7-14(15)25-13-9-12(20)16(8-11(13)19)31(28,29)26-17-24-5-6-30-17;1-11-4-5-14(16(8-11)24(2)3)22-15-10-13(20)17(9-12(15)19)28(25,26)23-18-21-6-7-27-18;1-22(2)14-5-3-4-12(14)20-13-9-11(18)15(8-10(13)17)26(23,24)21-16-19-6-7-25-16/h2*3-5,8-10,12-13,15,19,21,31H,6-7,11H2,1-2H3,(H,30,32);2*4-6,9-11,13-14,17,21-22,28H,7-8,12H2,1-3H3,(H,27,29);5-6,8-10,14-15,25H,3-4,7H2,1-2H3,(H,24,26);6-7,9-11,14,16,22H,4-5,8H2,1-3H3,(H,21,23);6-9,12,14,20H,3-5H2,1-2H3,(H,19,21)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+;11-,14-,16-;12-,14-/m1010100/s1
InChIKeyREMLZLJBPNISPW-MUFUINNNSA-N
MW3567.25 g/mol
LogP37.02
Rot. Bonds46

About 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 160602720) has the molecular formula C148H171Cl7F16N28O14S14 and a molecular weight of 3567.25 g/mol. Its IUPAC name is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID160602720
Molecular FormulaC148H171Cl7F16N28O14S14
Molecular Weight3567.25 g/mol
Exact Mass3560.72
IUPAC Name5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCN(C)[C@H]1CCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.C[C@H]1CC[C@H](Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)[C@@H](N(C)C)C1.Cc1cccc([C@@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1.Cc1cccc([C@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1
InChIInChI=1S/2C24H25ClF4N4O2S2.2C24H28ClFN4O2S2.C18H21ClF4N4O2S2.C18H24ClFN4O2S2.C16H20ClFN4O2S2/c2*1-33(2)21-11-15(14-4-3-5-16(10-14)24(27,28)29)6-7-19(21)31-20-13-18(26)22(12-17(20)25)37(34,35)32-23-30-8-9-36-23;2*1-15-5-4-6-16(11-15)17-7-8-22(30(2)3)21(12-17)28-20-14-19(26)23(13-18(20)25)34(31,32)29-24-27-9-10-33-24;1-27(2)15-4-3-10(18(21,22)23)7-14(15)25-13-9-12(20)16(8-11(13)19)31(28,29)26-17-24-5-6-30-17;1-11-4-5-14(16(8-11)24(2)3)22-15-10-13(20)17(9-12(15)19)28(25,26)23-18-21-6-7-27-18;1-22(2)14-5-3-4-12(14)20-13-9-11(18)15(8-10(13)17)26(23,24)21-16-19-6-7-25-16/h2*3-5,8-10,12-13,15,19,21,31H,6-7,11H2,1-2H3,(H,30,32);2*4-6,9-11,13-14,17,21-22,28H,7-8,12H2,1-3H3,(H,27,29);5-6,8-10,14-15,25H,3-4,7H2,1-2H3,(H,24,26);6-7,9-11,14,16,22H,4-5,8H2,1-3H3,(H,21,23);6-9,12,14,20H,3-5H2,1-2H3,(H,19,21)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+;11-,14-,16-;12-,14-/m1010100/s1
InChIKeyREMLZLJBPNISPW-MUFUINNNSA-N
XLogP37.02
TPSA520.31 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds46
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003567.25
LogP ≤ 537.02
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

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Related Compounds

US10457654, Example 87
CID 134438047
US10457654, Example 129
CID 154584247
US10457654, Example 137
CID 134429585
US10457654, Example 93
CID 134438199
US10457654, Example 88
CID 134438200
US10457654, Example 103
CID 134438241
5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429555
5-chloro-4-[[(1S,2S,4R)-2-[[(2E,3E)-5-[(1R,3S,4S)-3-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylsulfamoyl)anilino]-4-(dimethylamino)cyclohexyl]-2-ethylidene-3-(trifluoromethyl)hexa-3,5-dienyl]-methylamino]-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134438046
5-chloro-4-[[(1S,2S)-2-[4-[(6R,7R)-7-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylsulfamoyl)anilino]-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]piperazin-1-yl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134459040
5-chloro-4-[[(1S,2S,5R)-5-[5-[[[(1S,2S,4S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylsulfamoyl)anilino]-4-(2-fluorophenyl)cyclohexyl]-methylamino]methyl]-2-fluorophenyl]-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134459248
5-chloro-4-[[2-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 142754973
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide;2-[[(1S,2S)-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)anilino]cyclohexyl]-methylamino]ethanol;(1R,2R,4R)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine;trans-(1S,2S)-2-N-(azetidin-3-yl)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)methylsulfonyl]phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-(2-fluoroethyl)-2-N-methylcyclohexane-1,2-diamine;trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]-2-N-methyl-2-N-(1-methylazetidin-3-yl)cyclohexane-1,2-diamine
CID 157330525

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 160602720) is 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is CN(C)[C@H]1CCC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1CC[C@@H](C(F)(F)F)C[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.CN(C)[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1Cl.C[C@H]1CC[C@H](Nc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)[C@@H](N(C)C)C1.Cc1cccc([C@@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1.Cc1cccc([C@H]2CC[C@H](N(C)C)[C@@H](Nc3cc(F)c(S(=O)(=O)Nc4nccs4)cc3Cl)C2)c1.
What is the InChIKey of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is REMLZLJBPNISPW-MUFUINNNSA-N. The full InChI is InChI=1S/2C24H25ClF4N4O2S2.2C24H28ClFN4O2S2.C18H21ClF4N4O2S2.C18H24ClFN4O2S2.C16H20ClFN4O2S2/c2*1-33(2)21-11-15(14-4-3-5-16(10-14)24(27,28)29)6-7-19(21)31-20-13-18(26)22(12-17(20)25)37(34,35)32-23-30-8-9-36-23;2*1-15-5-4-6-16(11-15)17-7-8-22(30(2)3)21(12-17)28-20-14-19(26)23(13-18(20)25)34(31,32)29-24-27-9-10-33-24;1-27(2)15-4-3-10(18(21,22)23)7-14(15)25-13-9-12(20)16(8-11(13)19)31(28,29)26-17-24-5-6-30-17;1-11-4-5-14(16(8-11)24(2)3)22-15-10-13(20)17(9-12(15)19)28(25,26)23-18-21-6-7-27-18;1-22(2)14-5-3-4-12(14)20-13-9-11(18)15(8-10(13)17)26(23,24)21-16-19-6-7-25-16/h2*3-5,8-10,12-13,15,19,21,31H,6-7,11H2,1-2H3,(H,30,32);2*4-6,9-11,13-14,17,21-22,28H,7-8,12H2,1-3H3,(H,27,29);5-6,8-10,14-15,25H,3-4,7H2,1-2H3,(H,24,26);6-7,9-11,14,16,22H,4-5,8H2,1-3H3,(H,21,23);6-9,12,14,20H,3-5H2,1-2H3,(H,19,21)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+;11-,14-,16-;12-,14-/m1010100/s1.
What are the key properties of 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 3567.25 g/mol, XLogP of 37.02, 46 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1S,2S)-2-(dimethylamino)cyclopentyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-methylcyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,5R)-2-(dimethylamino)-5-(trifluoromethyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;5-chloro-4-[[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 160602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).