3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide

C117H127Cl3F6N8O18S6 — CID 167543061

IUPAC3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1.Cc1cccc(CC(=O)c2cc(S(=O)(=O)CC3CCCCC3)ccc2F)c1.Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c1.O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F.O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H25FO3S.C20H22FNO3S.C19H20Cl2N2O3S.C19H20ClFN2O3S.C19H20F2N2O3S.C18H20FNO3S/c1-16-6-5-9-18(12-16)13-22(24)20-14-19(10-11-21(20)23)27(25,26)15-17-7-3-2-4-8-17;1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15;1-13-6-5-7-14(10-13)22-19(24)15-11-18(17(21)12-16(15)20)27(25,26)23-8-3-2-4-9-23;20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23;20-13-6-8-14(9-7-13)22-19(24)17-12-16(10-11-18(17)21)27(25,26)23-15-4-2-1-3-5-15;1-18(2,3)12-24(22,23)16-6-4-5-13(11-16)17(21)20-15-9-7-14(19)8-10-15/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3;4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23);5-7,10-12H,2-4,8-9H2,1H3,(H,22,24);5-10,13H,1-4,11-12H2,(H,22,24);6-12,15,23H,1-5H2,(H,22,24);4-11H,12H2,1-3H3,(H,20,21)
InChIKeyBLEYZDQUGUENGB-UHFFFAOYSA-N
MW2346.09 g/mol
LogP26.01
Rot. Bonds28

About 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide

3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide (PubChem CID 167543061) has the molecular formula C117H127Cl3F6N8O18S6 and a molecular weight of 2346.09 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide
PubChem CID167543061
Molecular FormulaC117H127Cl3F6N8O18S6
Molecular Weight2346.09 g/mol
Exact Mass2342.66
IUPAC Name3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide
SMILESCC(C)(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1.Cc1cccc(CC(=O)c2cc(S(=O)(=O)CC3CCCCC3)ccc2F)c1.Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c1.O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F.O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C22H25FO3S.C20H22FNO3S.C19H20Cl2N2O3S.C19H20ClFN2O3S.C19H20F2N2O3S.C18H20FNO3S/c1-16-6-5-9-18(12-16)13-22(24)20-14-19(10-11-21(20)23)27(25,26)15-17-7-3-2-4-8-17;1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15;1-13-6-5-7-14(10-13)22-19(24)15-11-18(17(21)12-16(15)20)27(25,26)23-8-3-2-4-9-23;20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23;20-13-6-8-14(9-7-13)22-19(24)17-12-16(10-11-18(17)21)27(25,26)23-15-4-2-1-3-5-15;1-18(2,3)12-24(22,23)16-6-4-5-13(11-16)17(21)20-15-9-7-14(19)8-10-15/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3;4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23);5-7,10-12H,2-4,8-9H2,1H3,(H,22,24);5-10,13H,1-4,11-12H2,(H,22,24);6-12,15,23H,1-5H2,(H,22,24);4-11H,12H2,1-3H3,(H,20,21)
InChIKeyBLEYZDQUGUENGB-UHFFFAOYSA-N
XLogP26.01
TPSA385.92 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002346.09
LogP ≤ 526.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide with MolForge

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Related Compounds

5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
CID 152976203
5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 118285426
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide (CID 167543061) is 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide is CC(C)(C)CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1.Cc1cccc(CC(=O)c2cc(S(=O)(=O)CC3CCCCC3)ccc2F)c1.Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)c1.O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F.O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide?
The InChIKey is BLEYZDQUGUENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FO3S.C20H22FNO3S.C19H20Cl2N2O3S.C19H20ClFN2O3S.C19H20F2N2O3S.C18H20FNO3S/c1-16-6-5-9-18(12-16)13-22(24)20-14-19(10-11-21(20)23)27(25,26)15-17-7-3-2-4-8-17;1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15;1-13-6-5-7-14(10-13)22-19(24)15-11-18(17(21)12-16(15)20)27(25,26)23-8-3-2-4-9-23;20-17-10-5-14(19(24)22-16-8-6-15(21)7-9-16)13-18(17)27(25,26)23-11-3-1-2-4-12-23;20-13-6-8-14(9-7-13)22-19(24)17-12-16(10-11-18(17)21)27(25,26)23-15-4-2-1-3-5-15;1-18(2,3)12-24(22,23)16-6-4-5-13(11-16)17(21)20-15-9-7-14(19)8-10-15/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3;4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23);5-7,10-12H,2-4,8-9H2,1H3,(H,22,24);5-10,13H,1-4,11-12H2,(H,22,24);6-12,15,23H,1-5H2,(H,22,24);4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide?
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide has a molecular weight of 2346.09 g/mol, XLogP of 26.01, 28 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide;1-[5-(cyclohexylmethylsulfonyl)-2-fluorophenyl]-2-(3-methylphenyl)ethanone;5-(cyclohexylsulfamoyl)-2-fluoro-N-(4-fluorophenyl)benzamide;3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide;2,4-dichloro-N-(3-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide;3-(2,2-dimethylpropylsulfonyl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 167543061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).