4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

C23H20ClN3O5S — CID 50824244

IUPAC4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-26-19-12-18(25-22(28)14-4-6-15(24)7-5-14)21(13-20(19)27(2)23(26)29)33(30,31)17-10-8-16(32-3)9-11-17/h4-13H,1-3H3,(H,25,28)
InChIKeySOIZFPOYIWMNJS-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.62
Rot. Bonds5

About 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 50824244) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID50824244
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCOc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20ClN3O5S/c1-26-19-12-18(25-22(28)14-4-6-15(24)7-5-14)21(13-20(19)27(2)23(26)29)33(30,31)17-10-8-16(32-3)9-11-17/h4-13H,1-3H3,(H,25,28)
InChIKeySOIZFPOYIWMNJS-UHFFFAOYSA-N
XLogP3.62
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)benzamide
CID 50824182
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
4-chloro-N-(6-cyclohexylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 50824181
N-[1,3-diethyl-6-(4-methoxyphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methylbenzamide
CID 50820530
4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
N-[1,3-diethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]-3-methoxybenzamide
CID 50824131
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
3-[(4-chlorobenzoyl)amino]-4-methoxybenzenesulfonic acid
CID 139946873
N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]butanamide
CID 50824381
N-(2,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1265291
4-methoxy-N-(2-oxoazet-1-yl)benzamide
CID 174440872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (CID 50824244) is 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is COc1ccc(S(=O)(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is SOIZFPOYIWMNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c1-26-19-12-18(25-22(28)14-4-6-15(24)7-5-14)21(13-20(19)27(2)23(26)29)33(30,31)17-10-8-16(32-3)9-11-17/h4-13H,1-3H3,(H,25,28).
What are the key properties of 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 485.95 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 50824244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).