1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one

C20H16ClN3O4S — CID 15229041

IUPAC1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)n1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H16ClN3O4S/c1-28-18-12-14(22)8-10-19(18)29(26,27)24-16-9-7-13(21)11-17(16)23(20(24)25)15-5-3-2-4-6-15/h2-12H,22H2,1H3
InChIKeyJNLFPXJEFQFUGS-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one

1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one (PubChem CID 15229041) has the molecular formula C20H16ClN3O4S and a molecular weight of 429.89 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one
PubChem CID15229041
Molecular FormulaC20H16ClN3O4S
Molecular Weight429.89 g/mol
Exact Mass429.06
IUPAC Name1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one
SMILESCOc1cc(N)ccc1S(=O)(=O)n1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C20H16ClN3O4S/c1-28-18-12-14(22)8-10-19(18)29(26,27)24-16-9-7-13(21)11-17(16)23(20(24)25)15-5-3-2-4-6-15/h2-12H,22H2,1H3
InChIKeyJNLFPXJEFQFUGS-UHFFFAOYSA-N
XLogP3.27
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
5-amino-3-(2-methoxy-5-methylphenyl)sulfonyl-1-methylbenzimidazol-2-one
CID 110721858
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
4-(4-amino-2-methoxyphenyl)sulfonylpiperazin-2-one
CID 43257198
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
3-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylaniline
CID 107390417
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
5-[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 121117373
1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one
CID 82899915
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one?
The IUPAC name of 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one (CID 15229041) is 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one.
What is the SMILES notation for 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one?
The canonical SMILES for 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one is COc1cc(N)ccc1S(=O)(=O)n1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one?
The InChIKey is JNLFPXJEFQFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4S/c1-28-18-12-14(22)8-10-19(18)29(26,27)24-16-9-7-13(21)11-17(16)23(20(24)25)15-5-3-2-4-6-15/h2-12H,22H2,1H3.
What are the key properties of 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one?
1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one has a molecular weight of 429.89 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one is sourced from PubChem (CID 15229041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).