N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide

C15H15N3O3S — CID 35593263

IUPACN-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-10-7-8-13(21-2)14(9-10)22(19,20)18-15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyOAGUFETWXSLUJQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.68
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 35593263) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID35593263
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H15N3O3S/c1-10-7-8-13(21-2)14(9-10)22(19,20)18-15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyOAGUFETWXSLUJQ-UHFFFAOYSA-N
XLogP2.68
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
5-bromo-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methoxybenzenesulfonamide
CID 25041486
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
N-(1H-benzimidazol-2-ylmethyl)-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36518051
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 35593263) is N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is OAGUFETWXSLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10-7-8-13(21-2)14(9-10)22(19,20)18-15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H2,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 35593263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).