N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide

C17H19N3O2S — CID 110791415

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2S/c1-2-13-3-6-15(7-4-13)23(21,22)20-10-9-14-5-8-16-17(11-14)19-12-18-16/h3-8,11-12,20H,2,9-10H2,1H3,(H,18,19)
InChIKeyJQQPNHIZXICZTF-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide

N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide (PubChem CID 110791415) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
PubChem CID110791415
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O2S/c1-2-13-3-6-15(7-4-13)23(21,22)20-10-9-14-5-8-16-17(11-14)19-12-18-16/h3-8,11-12,20H,2,9-10H2,1H3,(H,18,19)
InChIKeyJQQPNHIZXICZTF-UHFFFAOYSA-N
XLogP2.65
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759965
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
CID 115205454
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide (CID 110791415) is N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is JQQPNHIZXICZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-2-13-3-6-15(7-4-13)23(21,22)20-10-9-14-5-8-16-17(11-14)19-12-18-16/h3-8,11-12,20H,2,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.65, 6 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]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110791415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).