4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide

C59H60Cl3F7N6O12S3 — CID 160925838

IUPAC4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCCC1CN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(Cl)c3)ccc2Cl)CCC1O.Cc1ccc(C(=O)Nc2cc(F)c(F)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)C(C)C1.Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C20H20Cl2F2N2O4S.C20H21ClF2N2O4S.C19H19F3N2O4S/c1-2-11-10-26(6-5-17(11)27)31(29,30)18-7-12(3-4-14(18)21)20(28)25-13-8-15(22)19(24)16(23)9-13;1-11-3-4-13(20(27)24-14-8-15(21)19(23)16(22)9-14)7-18(11)30(28,29)25-6-5-17(26)12(2)10-25;1-11-2-3-12(19(26)23-13-9-15(20)18(22)16(21)10-13)8-17(11)29(27,28)24-6-4-14(25)5-7-24/h3-4,7-9,11,17,27H,2,5-6,10H2,1H3,(H,25,28);3-4,7-9,12,17,26H,5-6,10H2,1-2H3,(H,24,27);2-3,8-10,14,25H,4-7H2,1H3,(H,23,26)
InChIKeySSPYUGWVCQBSIZ-UHFFFAOYSA-N
MW1380.70 g/mol
LogP10.69
Rot. Bonds13

About 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide

4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 160925838) has the molecular formula C59H60Cl3F7N6O12S3 and a molecular weight of 1380.70 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID160925838
Molecular FormulaC59H60Cl3F7N6O12S3
Molecular Weight1380.70 g/mol
Exact Mass1378.24
IUPAC Name4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide
SMILESCCC1CN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(Cl)c3)ccc2Cl)CCC1O.Cc1ccc(C(=O)Nc2cc(F)c(F)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)C(C)C1.Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C20H20Cl2F2N2O4S.C20H21ClF2N2O4S.C19H19F3N2O4S/c1-2-11-10-26(6-5-17(11)27)31(29,30)18-7-12(3-4-14(18)21)20(28)25-13-8-15(22)19(24)16(23)9-13;1-11-3-4-13(20(27)24-14-8-15(21)19(23)16(22)9-14)7-18(11)30(28,29)25-6-5-17(26)12(2)10-25;1-11-2-3-12(19(26)23-13-9-15(20)18(22)16(21)10-13)8-17(11)29(27,28)24-6-4-14(25)5-7-24/h3-4,7-9,11,17,27H,2,5-6,10H2,1H3,(H,25,28);3-4,7-9,12,17,26H,5-6,10H2,1-2H3,(H,24,27);2-3,8-10,14,25H,4-7H2,1H3,(H,23,26)
InChIKeySSPYUGWVCQBSIZ-UHFFFAOYSA-N
XLogP10.69
TPSA260.13 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001380.70
LogP ≤ 510.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide with MolForge

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Related Compounds

N-(3-chloro-4,5-difluorophenyl)-4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonylbenzamide;4-fluoro-3-(3-fluoro-4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide;4-fluoro-3-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 167652341
1-[2-chloro-5-[(3-chloro-4,5-difluoroanilino)methyl]phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 129212997
N-(3,4-difluorophenyl)-4-fluoro-3-(4-hydroxy-5-methylazepan-1-yl)sulfonylbenzamide
CID 118230125
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
[1-[2-fluoro-5-[(3,4,5-trifluorophenyl)carbamoyl]phenyl]sulfonylpyrrolidin-3-yl]carbamic acid
CID 146301441
4-chloro-3-(1-methylpiperidin-4-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130397526
4-(fluoromethyl)-3-(3-hydroxy-4-methylazocan-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 122547327
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 146301309
4-chloro-3-[[(5R)-3-hydroxy-7-methyl-6-bicyclo[3.1.1]heptanyl]methylsulfonyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130425194
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4089870
N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide (CID 160925838) is 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide is CCC1CN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(Cl)c3)ccc2Cl)CCC1O.Cc1ccc(C(=O)Nc2cc(F)c(F)c(Cl)c2)cc1S(=O)(=O)N1CCC(O)C(C)C1.Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is SSPYUGWVCQBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O4S.C20H21ClF2N2O4S.C19H19F3N2O4S/c1-2-11-10-26(6-5-17(11)27)31(29,30)18-7-12(3-4-14(18)21)20(28)25-13-8-15(22)19(24)16(23)9-13;1-11-3-4-13(20(27)24-14-8-15(21)19(23)16(22)9-14)7-18(11)30(28,29)25-6-5-17(26)12(2)10-25;1-11-2-3-12(19(26)23-13-9-15(20)18(22)16(21)10-13)8-17(11)29(27,28)24-6-4-14(25)5-7-24/h3-4,7-9,11,17,27H,2,5-6,10H2,1H3,(H,25,28);3-4,7-9,12,17,26H,5-6,10H2,1-2H3,(H,24,27);2-3,8-10,14,25H,4-7H2,1H3,(H,23,26).
What are the key properties of 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide?
4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 1380.70 g/mol, XLogP of 10.69, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4,5-difluorophenyl)-3-(3-ethyl-4-hydroxypiperidin-1-yl)sulfonylbenzamide;N-(3-chloro-4,5-difluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzamide;3-(4-hydroxypiperidin-1-yl)sulfonyl-4-methyl-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 160925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).