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

C114H127Cl5F14N20O10S10 — CID 159680571

IUPAC5-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]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.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/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/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)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+/m10101/s1
InChIKeyMVDTTZRHQPPPDQ-PNPJKJKISA-N
MW2701.31 g/mol
LogP29.12
Rot. Bonds34

About 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,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 159680571) has the molecular formula C114H127Cl5F14N20O10S10 and a molecular weight of 2701.31 g/mol. Its IUPAC name is 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,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 CID159680571
Molecular FormulaC114H127Cl5F14N20O10S10
Molecular Weight2701.31 g/mol
Exact Mass2696.55
IUPAC Name5-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]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.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/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/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)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+/m10101/s1
InChIKeyMVDTTZRHQPPPDQ-PNPJKJKISA-N
XLogP29.12
TPSA371.65 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.31
LogP ≤ 529.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 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 173
CID 134438173
US10457654, Example 174
CID 134438176
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,5R)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429574
5-chloro-4-[[(1S,2S,5S)-2-(dimethylamino)-5-(3-methylphenyl)cyclohexyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134429586
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

Frequently Asked Questions

What is the IUPAC name of 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,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 159680571) is 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,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,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]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.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,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 MVDTTZRHQPPPDQ-PNPJKJKISA-N. The full InChI is InChI=1S/2C24H25ClF4N4O2S2.2C24H28ClFN4O2S2.C18H21ClF4N4O2S2/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/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)/t15-,19+,21+;15-,19-,21-;17-,21+,22+;17-,21-,22-;10-,14+,15+/m10101/s1.
What are the key properties of 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,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 2701.31 g/mol, XLogP of 29.12, 34 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 159680571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).