N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide

C15H13N3O4S — CID 110869241

IUPACN-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4S/c1-18(10-2-4-12-13(6-10)17-8-16-12)23(19,20)11-3-5-14-15(7-11)22-9-21-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyBNDYYEXHCOJBCM-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.12
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide

N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide (PubChem CID 110869241) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
PubChem CID110869241
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide
SMILESCN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4S/c1-18(10-2-4-12-13(6-10)17-8-16-12)23(19,20)11-3-5-14-15(7-11)22-9-21-14/h2-8H,9H2,1H3,(H,16,17)
InChIKeyBNDYYEXHCOJBCM-UHFFFAOYSA-N
XLogP2.12
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
N-(3H-benzimidazol-5-yl)-4-methoxy-N-methylbenzenesulfonamide
CID 110869229
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
N-(1,3-benzodioxol-5-yl)-4-chloro-N-methylbenzenesulfonamide
CID 95969443
N-(3H-benzimidazol-5-yl)-N,2,4-trimethylbenzenesulfonamide
CID 110869231
N-(3H-benzimidazol-5-yl)-2-chloro-N-methylbenzenesulfonamide
CID 110869267
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013
6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
CID 135858724
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide (CID 110869241) is N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide is CN(c1ccc2nc[nH]c2c1)S(=O)(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is BNDYYEXHCOJBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-18(10-2-4-12-13(6-10)17-8-16-12)23(19,20)11-3-5-14-15(7-11)22-9-21-14/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide?
N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N-methyl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110869241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).