2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile

C154H125Cl5F25N7O26S9 — CID 161495225

IUPAC2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3nccs3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C(N)=O)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C3(C(N)=O)CC3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(CC3(C#N)CC3)cc2)cc1)C(F)(F)F.C[C@@](O)(c1ccc(S(=O)(=O)c2ccncc2C2CC2)cc1)C(F)(F)F.Cc1cc(-c2ccc(C#N)cc2)ccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C23H18F3NO3S.C21H15ClF4O3S.C20H15ClF3NO3S.C20H18F3NO3S.C19H17ClF3NO4S.C18H13ClF3NO3S2.C17H16F3NO3S.C16H13ClF3NO4S/c1-15-13-18(17-5-3-16(14-27)4-6-17)7-12-21(15)31(29,30)20-10-8-19(9-11-20)22(2,28)23(24,25)26;1-20(27,21(24,25)26)15-5-9-17(10-6-15)30(28,29)19-11-4-14(12-18(19)22)13-2-7-16(23)8-3-13;1-19(26,20(22,23)24)15-3-5-16(6-4-15)29(27,28)18-7-2-14(12-17(18)21)13-8-10-25-11-9-13;1-18(25,20(21,22)23)15-4-8-17(9-5-15)28(26,27)16-6-2-14(3-7-16)12-19(13-24)10-11-19;1-17(26,19(21,22)23)11-2-5-13(6-3-11)29(27,28)15-7-4-12(10-14(15)20)18(8-9-18)16(24)25;1-17(24,18(20,21)22)12-3-5-13(6-4-12)28(25,26)15-7-2-11(10-14(15)19)16-23-8-9-27-16;1-16(22,17(18,19)20)12-4-6-13(7-5-12)25(23,24)15-8-9-21-10-14(15)11-2-3-11;1-15(23,16(18,19)20)10-3-5-11(6-4-10)26(24,25)13-7-2-9(14(21)22)8-12(13)17/h3-13,28H,1-2H3;2-12,27H,1H3;2-12,26H,1H3;2-9,25H,10-12H2,1H3;2-7,10,26H,8-9H2,1H3,(H2,24,25);2-10,24H,1H3;4-11,22H,2-3H2,1H3;2-8,23H,1H3,(H2,21,22)/t;;;;;;16-;/m......1./s1
InChIKeyWGCLPTPVARDBAO-HKTVQMPJSA-N
MW3430.53 g/mol
LogP35.15
Rot. Bonds34

About 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile

2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile (PubChem CID 161495225) has the molecular formula C154H125Cl5F25N7O26S9 and a molecular weight of 3430.53 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile
PubChem CID161495225
Molecular FormulaC154H125Cl5F25N7O26S9
Molecular Weight3430.53 g/mol
Exact Mass3425.42
IUPAC Name2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3nccs3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C(N)=O)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C3(C(N)=O)CC3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(CC3(C#N)CC3)cc2)cc1)C(F)(F)F.C[C@@](O)(c1ccc(S(=O)(=O)c2ccncc2C2CC2)cc1)C(F)(F)F.Cc1cc(-c2ccc(C#N)cc2)ccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C23H18F3NO3S.C21H15ClF4O3S.C20H15ClF3NO3S.C20H18F3NO3S.C19H17ClF3NO4S.C18H13ClF3NO3S2.C17H16F3NO3S.C16H13ClF3NO4S/c1-15-13-18(17-5-3-16(14-27)4-6-17)7-12-21(15)31(29,30)20-10-8-19(9-11-20)22(2,28)23(24,25)26;1-20(27,21(24,25)26)15-5-9-17(10-6-15)30(28,29)19-11-4-14(12-18(19)22)13-2-7-16(23)8-3-13;1-19(26,20(22,23)24)15-3-5-16(6-4-15)29(27,28)18-7-2-14(12-17(18)21)13-8-10-25-11-9-13;1-18(25,20(21,22)23)15-4-8-17(9-5-15)28(26,27)16-6-2-14(3-7-16)12-19(13-24)10-11-19;1-17(26,19(21,22)23)11-2-5-13(6-3-11)29(27,28)15-7-4-12(10-14(15)20)18(8-9-18)16(24)25;1-17(24,18(20,21)22)12-3-5-13(6-4-12)28(25,26)15-7-2-11(10-14(15)19)16-23-8-9-27-16;1-16(22,17(18,19)20)12-4-6-13(7-5-12)25(23,24)15-8-9-21-10-14(15)11-2-3-11;1-15(23,16(18,19)20)10-3-5-11(6-4-10)26(24,25)13-7-2-9(14(21)22)8-12(13)17/h3-13,28H,1-2H3;2-12,27H,1H3;2-12,26H,1H3;2-9,25H,10-12H2,1H3;2-7,10,26H,8-9H2,1H3,(H2,24,25);2-10,24H,1H3;4-11,22H,2-3H2,1H3;2-8,23H,1H3,(H2,21,22)/t;;;;;;16-;/m......1./s1
InChIKeyWGCLPTPVARDBAO-HKTVQMPJSA-N
XLogP35.15
TPSA607.39 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003430.53
LogP ≤ 535.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;3-cyclopropyl-4-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylbenzonitrile;3-cyclopropyl-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonylbenzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile
CID 160115291
3-[[4-Chloro-2-(5-chlorothiophen-2-yl)-5-cyanophenyl]methylsulfonyl]-4-cyclopropylbenzoic acid;3-[[4-chloro-5-cyano-2-(3-fluorophenyl)phenyl]methylsulfonyl]-4-cyclopropylbenzoic acid;3-[(4-chloro-5-cyano-2-pyridin-2-ylphenyl)methylsulfonyl]-4-cyclopropylbenzoic acid;4-ethyl-3-[[2-(1,3-thiazol-5-yl)-5-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid
CID 167633646
4-Tert-butyl-3-[(5-cyano-2-pyridin-2-ylphenyl)methylsulfonyl]benzoic acid;3-[(4-chloro-5-methylsulfonyl-2-pyridin-2-ylphenyl)methylsulfonyl]-4-cyclopropylbenzoic acid;3-[[5-cyano-2-(1,2-thiazol-3-yl)phenyl]methylsulfonyl]-4-cyclopropylbenzoic acid;4-cyclopropyl-3-[(4-fluoro-5-methylsulfonyl-2-pyridin-2-ylphenyl)methylsulfonyl]benzoic acid
CID 167702212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile (CID 161495225) is 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile is CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3ccncc3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(-c3nccs3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C(N)=O)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(C3(C(N)=O)CC3)cc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccc(CC3(C#N)CC3)cc2)cc1)C(F)(F)F.C[C@@](O)(c1ccc(S(=O)(=O)c2ccncc2C2CC2)cc1)C(F)(F)F.Cc1cc(-c2ccc(C#N)cc2)ccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile?
The InChIKey is WGCLPTPVARDBAO-HKTVQMPJSA-N. The full InChI is InChI=1S/C23H18F3NO3S.C21H15ClF4O3S.C20H15ClF3NO3S.C20H18F3NO3S.C19H17ClF3NO4S.C18H13ClF3NO3S2.C17H16F3NO3S.C16H13ClF3NO4S/c1-15-13-18(17-5-3-16(14-27)4-6-17)7-12-21(15)31(29,30)20-10-8-19(9-11-20)22(2,28)23(24,25)26;1-20(27,21(24,25)26)15-5-9-17(10-6-15)30(28,29)19-11-4-14(12-18(19)22)13-2-7-16(23)8-3-13;1-19(26,20(22,23)24)15-3-5-16(6-4-15)29(27,28)18-7-2-14(12-17(18)21)13-8-10-25-11-9-13;1-18(25,20(21,22)23)15-4-8-17(9-5-15)28(26,27)16-6-2-14(3-7-16)12-19(13-24)10-11-19;1-17(26,19(21,22)23)11-2-5-13(6-3-11)29(27,28)15-7-4-12(10-14(15)20)18(8-9-18)16(24)25;1-17(24,18(20,21)22)12-3-5-13(6-4-12)28(25,26)15-7-2-11(10-14(15)19)16-23-8-9-27-16;1-16(22,17(18,19)20)12-4-6-13(7-5-12)25(23,24)15-8-9-21-10-14(15)11-2-3-11;1-15(23,16(18,19)20)10-3-5-11(6-4-10)26(24,25)13-7-2-9(14(21)22)8-12(13)17/h3-13,28H,1-2H3;2-12,27H,1H3;2-12,26H,1H3;2-9,25H,10-12H2,1H3;2-7,10,26H,8-9H2,1H3,(H2,24,25);2-10,24H,1H3;4-11,22H,2-3H2,1H3;2-8,23H,1H3,(H2,21,22)/t;;;;;;16-;/m......1./s1.
What are the key properties of 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile?
2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile has a molecular weight of 3430.53 g/mol, XLogP of 35.15, 34 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-(4-fluorophenyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chloro-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzamide;1-[3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide;(2R)-2-[4-[(3-cyclopropyl-4-pyridinyl)sulfonyl]phenyl]-1,1,1-trifluoropropan-2-ol;4-[3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]benzonitrile;1-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 161495225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).