6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide

C18H20ClN3O6S — CID 53092178

IUPAC6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C18H20ClN3O6S/c1-21-12-8-11(19)16(9-13(12)22(2)18(21)23)29(24,25)20-10-6-14(26-3)17(28-5)15(7-10)27-4/h6-9,20H,1-5H3
InChIKeyBHJGCEFHZGBPPS-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.36
Rot. Bonds6

About 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide

6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide (PubChem CID 53092178) has the molecular formula C18H20ClN3O6S and a molecular weight of 441.89 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
PubChem CID53092178
Molecular FormulaC18H20ClN3O6S
Molecular Weight441.89 g/mol
Exact Mass441.08
IUPAC Name6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C18H20ClN3O6S/c1-21-12-8-11(19)16(9-13(12)22(2)18(21)23)29(24,25)20-10-6-14(26-3)17(28-5)15(7-10)27-4/h6-9,20H,1-5H3
InChIKeyBHJGCEFHZGBPPS-UHFFFAOYSA-N
XLogP2.36
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092186
methyl 1,5-dimethyl-4-[(3,4,5-trimethoxyphenyl)sulfamoyl]pyrrole-2-carboxylate
CID 53069046
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092083
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 51049222
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)methanesulfonamide
CID 22434010
2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
5-bromo-2-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 8512676
6-methyl-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-sulfonamide
CID 3508793
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide?
The IUPAC name of 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide (CID 53092178) is 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide is COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1OC.
What is the InChIKey of 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide?
The InChIKey is BHJGCEFHZGBPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O6S/c1-21-12-8-11(19)16(9-13(12)22(2)18(21)23)29(24,25)20-10-6-14(26-3)17(28-5)15(7-10)27-4/h6-9,20H,1-5H3.
What are the key properties of 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide?
6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide has a molecular weight of 441.89 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 53092178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).