N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide

C15H15N3O4S — CID 110760043

IUPACN-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-14-6-3-10(7-15(14)22-2)18-23(19,20)11-4-5-12-13(8-11)17-9-16-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyVKEWMRZIKPRMIB-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.38
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide

N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 110760043) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID110760043
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C15H15N3O4S/c1-21-14-6-3-10(7-15(14)22-2)18-23(19,20)11-4-5-12-13(8-11)17-9-16-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyVKEWMRZIKPRMIB-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-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-(3-chloro-4-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 110760029
N-(1H-imidazo[4,5-b]pyridin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 110869798
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110724383
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
N-(3H-benzimidazol-5-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110724406
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide (CID 110760043) is N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3nc[nH]c3c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is VKEWMRZIKPRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-14-6-3-10(7-15(14)22-2)18-23(19,20)11-4-5-12-13(8-11)17-9-16-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide?
N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide 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-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).