N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide

C15H15N3O2S — CID 110791407

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2nc[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,13-4-2-1-3-5-13)18-9-8-12-6-7-14-15(10-12)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17)
InChIKeyYPUSEHDLUIKURU-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide

N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110791407) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110791407
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2nc[nH]c2c1)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c19-21(20,13-4-2-1-3-5-13)18-9-8-12-6-7-14-15(10-12)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17)
InChIKeyYPUSEHDLUIKURU-UHFFFAOYSA-N
XLogP2.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide 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-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108573390
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
N-(3H-benzimidazol-5-yl)-2-phenylethanesulfonamide
CID 110724401

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide (CID 110791407) is N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc2nc[nH]c2c1)c1ccccc1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is YPUSEHDLUIKURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-21(20,13-4-2-1-3-5-13)18-9-8-12-6-7-14-15(10-12)17-11-16-14/h1-7,10-11,18H,8-9H2,(H,16,17).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110791407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).