N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide

C15H13N3O4S — CID 110724276

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cc2[nH]1
InChIInChI=1S/C15H13N3O4S/c1-9-16-12-4-2-10(6-13(12)17-9)18-23(19,20)11-3-5-14-15(7-11)22-8-21-14/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyOKMJTYMYKULDML-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.40
Rot. Bonds3

About N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide

N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110724276) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110724276
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cc2[nH]1
InChIInChI=1S/C15H13N3O4S/c1-9-16-12-4-2-10(6-13(12)17-9)18-23(19,20)11-3-5-14-15(7-11)22-8-21-14/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyOKMJTYMYKULDML-UHFFFAOYSA-N
XLogP2.40
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
N-(1,3-benzodioxol-5-yl)-2-oxo-1H-quinoline-6-sulfonamide
CID 46361446
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide (CID 110724276) is N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide is Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCO4)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is OKMJTYMYKULDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-9-16-12-4-2-10(6-13(12)17-9)18-23(19,20)11-3-5-14-15(7-11)22-8-21-14/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide?
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).