5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide

C16H16ClN3O4S — CID 15990071

IUPAC5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN3O4S/c1-19-12-6-5-11(9-13(12)20(2)16(19)21)18-25(22,23)15-8-10(17)4-7-14(15)24-3/h4-9,18H,1-3H3
InChIKeyAFFOOKGDABDQBT-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.34
Rot. Bonds4

About 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide

5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 15990071) has the molecular formula C16H16ClN3O4S and a molecular weight of 381.84 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide
PubChem CID15990071
Molecular FormulaC16H16ClN3O4S
Molecular Weight381.84 g/mol
Exact Mass381.06
IUPAC Name5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C16H16ClN3O4S/c1-19-12-6-5-11(9-13(12)20(2)16(19)21)18-25(22,23)15-8-10(17)4-7-14(15)24-3/h4-9,18H,1-3H3
InChIKeyAFFOOKGDABDQBT-UHFFFAOYSA-N
XLogP2.34
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
5-Chloro-2-methoxy-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 3163501
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 6501570
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 15990089
5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 46232825
2-methoxy-N-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzenesulfonamide
CID 168283117
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 49190359
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 118706820
5-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzenesulfonamide
CID 22433281

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide (CID 15990071) is 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is AFFOOKGDABDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4S/c1-19-12-6-5-11(9-13(12)20(2)16(19)21)18-25(22,23)15-8-10(17)4-7-14(15)24-3/h4-9,18H,1-3H3.
What are the key properties of 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide?
5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 381.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 15990071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).