N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide

C15H15N3O4S — CID 39854064

IUPACN-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-13-8-7-10(9-14(13)22-2)23(19,20)18-15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyYRFHGDYONCXFTE-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.38
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide

N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 39854064) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID39854064
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-13-8-7-10(9-14(13)22-2)23(19,20)18-15-16-11-5-3-4-6-12(11)17-15/h3-9H,1-2H3,(H2,16,17,18)
InChIKeyYRFHGDYONCXFTE-UHFFFAOYSA-N
XLogP2.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
CID 63564707
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
N-(1-ethylbenzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 35279941
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(2-cyanophenyl)-3,4-dimethoxybenzenesulfonamide
CID 2824579
N-(3-ethyl-4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 115143741
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide (CID 39854064) is N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is YRFHGDYONCXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-13-8-7-10(9-14(13)22-2)23(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)-3,4-dimethoxybenzenesulfonamide?
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 333.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 39854064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).