N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide

C15H15N3O3S — CID 110869229

IUPACN-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-18(11-3-8-14-15(9-11)17-10-16-14)22(19,20)13-6-4-12(21-2)5-7-13/h3-10H,1-2H3,(H,16,17)
InChIKeyKRDRXCNNHYFSCV-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.40
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide

N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 110869229) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
PubChem CID110869229
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-18(11-3-8-14-15(9-11)17-10-16-14)22(19,20)13-6-4-12(21-2)5-7-13/h3-10H,1-2H3,(H,16,17)
InChIKeyKRDRXCNNHYFSCV-UHFFFAOYSA-N
XLogP2.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
CID 110869241
N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
CID 110869267
N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110869231
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
(2R)-2-[3H-benzimidazol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 18337561
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110869442
2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157891
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide (CID 110869229) is N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is KRDRXCNNHYFSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-18(11-3-8-14-15(9-11)17-10-16-14)22(19,20)13-6-4-12(21-2)5-7-13/h3-10H,1-2H3,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide?
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 110869229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).