N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide

C16H17N3O3S — CID 110759966

IUPACN-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-22-16-5-3-2-4-12(16)8-9-19-23(20,21)13-6-7-14-15(10-13)18-11-17-14/h2-7,10-11,19H,8-9H2,1H3,(H,17,18)
InChIKeyFGDGGDPHGPSUGO-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide

N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 110759966) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
PubChem CID110759966
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N3O3S/c1-22-16-5-3-2-4-12(16)8-9-19-23(20,21)13-6-7-14-15(10-13)18-11-17-14/h2-7,10-11,19H,8-9H2,1H3,(H,17,18)
InChIKeyFGDGGDPHGPSUGO-UHFFFAOYSA-N
XLogP2.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-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-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760043
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55560014
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide (CID 110759966) is N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is FGDGGDPHGPSUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-16-5-3-2-4-12(16)8-9-19-23(20,21)13-6-7-14-15(10-13)18-11-17-14/h2-7,10-11,19H,8-9H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110759966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).