6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C15H14ClN3O5S — CID 53008995

IUPAC6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc(OC)c1
InChIInChI=1S/C15H14ClN3O5S/c1-23-9-3-8(4-10(5-9)24-2)19-25(21,22)14-7-13-12(6-11(14)16)17-15(20)18-13/h3-7,19H,1-2H3,(H2,17,18,20)
InChIKeyHRXLITSGUHOXTI-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.33
Rot. Bonds5

About 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 53008995) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID53008995
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc(OC)c1
InChIInChI=1S/C15H14ClN3O5S/c1-23-9-3-8(4-10(5-9)24-2)19-25(21,22)14-7-13-12(6-11(14)16)17-15(20)18-13/h3-7,19H,1-2H3,(H2,17,18,20)
InChIKeyHRXLITSGUHOXTI-UHFFFAOYSA-N
XLogP2.33
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913967
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
4-chloro-N-(3,5-dimethoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 26970163
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796598
7-chloro-N-(4-cyclopropylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 167306335
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 53008995) is 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COc1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Cl)cc(OC)c1.
What is the InChIKey of 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is HRXLITSGUHOXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-23-9-3-8(4-10(5-9)24-2)19-25(21,22)14-7-13-12(6-11(14)16)17-15(20)18-13/h3-7,19H,1-2H3,(H2,17,18,20).
What are the key properties of 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 383.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53008995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).