2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide

C88H71Cl6N11O12S3 — CID 159815319

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide
SMILESCC(C)(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2ccnc2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C26H20Cl2N2O4S.C22H20Cl2N2O4S.C21H15ClN4O.C19H16ClN3O3S/c27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;22-19-9-6-16(13-18(19)20-3-1-2-10-24-20)25-21(27)15-4-7-17(8-5-15)26-12-11-23-14-26;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h1-15,25,31H,16H2,(H,30,32);3-12,28H,13H2,1-2H3,(H,26,27);1-14H,(H,25,27);2-12,23H,1H3,(H,22,24)/t25-;;;/m0.../s1
InChIKeyNLNURRKZQYRZFQ-VWIQTUQXSA-N
MW1783.52 g/mol
LogP19.53
Rot. Bonds22

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide (PubChem CID 159815319) has the molecular formula C88H71Cl6N11O12S3 and a molecular weight of 1783.52 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide
PubChem CID159815319
Molecular FormulaC88H71Cl6N11O12S3
Molecular Weight1783.52 g/mol
Exact Mass1779.26
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide
SMILESCC(C)(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2ccnc2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl
InChIInChI=1S/C26H20Cl2N2O4S.C22H20Cl2N2O4S.C21H15ClN4O.C19H16ClN3O3S/c27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;22-19-9-6-16(13-18(19)20-3-1-2-10-24-20)25-21(27)15-4-7-17(8-5-15)26-12-11-23-14-26;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h1-15,25,31H,16H2,(H,30,32);3-12,28H,13H2,1-2H3,(H,26,27);1-14H,(H,25,27);2-12,23H,1H3,(H,22,24)/t25-;;;/m0.../s1
InChIKeyNLNURRKZQYRZFQ-VWIQTUQXSA-N
XLogP19.53
TPSA340.69 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.52
LogP ≤ 519.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide with MolForge

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Related Compounds

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxypropyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-2-ylmethylsulfonyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(pyridin-3-ylmethylsulfonyl)benzamide
CID 158877735
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 159003810
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)pyridine-3-carboxamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 158790649
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfamoyl]benzamide
CID 123578164
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[(2S)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 58614772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide (CID 159815319) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide is CC(C)(O)CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(-n2ccnc2)cc1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)C[C@H](O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is NLNURRKZQYRZFQ-VWIQTUQXSA-N. The full InChI is InChI=1S/C26H20Cl2N2O4S.C22H20Cl2N2O4S.C21H15ClN4O.C19H16ClN3O3S/c27-22-12-9-18(14-21(22)24-8-4-5-13-29-24)30-26(32)20-11-10-19(15-23(20)28)35(33,34)16-25(31)17-6-2-1-3-7-17;1-22(2,28)13-31(29,30)15-7-8-16(19(24)12-15)21(27)26-14-6-9-18(23)17(11-14)20-5-3-4-10-25-20;22-19-9-6-16(13-18(19)20-3-1-2-10-24-20)25-21(27)15-4-7-17(8-5-15)26-12-11-23-14-26;1-27(25,26)23-14-7-5-13(6-8-14)19(24)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18/h1-15,25,31H,16H2,(H,30,32);3-12,28H,13H2,1-2H3,(H,26,27);1-14H,(H,25,27);2-12,23H,1H3,(H,22,24)/t25-;;;/m0.../s1.
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 1783.52 g/mol, XLogP of 19.53, 22 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxy-2-methylpropyl)sulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2R)-2-hydroxy-2-phenylethyl]sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-imidazol-1-ylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 159815319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).