3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide

C23H21ClN4O4S — CID 92677651

IUPAC3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2Cl)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-14-4-8-17(9-5-14)33(31,32)26-19-10-6-15(12-18(19)24)22(29)25-16-7-11-20-21(13-16)28(3)23(30)27(20)2/h4-13,26H,1-3H3,(H,25,29)
InChIKeyPZIXSAHMOILTDB-UHFFFAOYSA-N
MW484.97 g/mol
LogP3.89
Rot. Bonds5

About 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide

3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92677651) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92677651
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2Cl)cc1
InChIInChI=1S/C23H21ClN4O4S/c1-14-4-8-17(9-5-14)33(31,32)26-19-10-6-15(12-18(19)24)22(29)25-16-7-11-20-21(13-16)28(3)23(30)27(20)2/h4-13,26H,1-3H3,(H,25,29)
InChIKeyPZIXSAHMOILTDB-UHFFFAOYSA-N
XLogP3.89
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 43907992
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99954541
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240
3,4-dichloro-N-[4-methoxy-3-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 18626096
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28567614
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 38015649
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 92677651) is 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2Cl)cc1.
What is the InChIKey of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PZIXSAHMOILTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-14-4-8-17(9-5-14)33(31,32)26-19-10-6-15(12-18(19)24)22(29)25-16-7-11-20-21(13-16)28(3)23(30)27(20)2/h4-13,26H,1-3H3,(H,25,29).
What are the key properties of 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 484.97 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92677651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).