N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide

C22H18N4O2S — CID 46379395

IUPACN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18N4O2S/c23-15-16-9-12-18(13-10-16)29(27,28)26-19-6-2-1-5-17(19)11-14-22-24-20-7-3-4-8-21(20)25-22/h1-10,12-13,26H,11,14H2,(H,24,25)
InChIKeyOGUDJOUDYXTVBE-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.02
Rot. Bonds6

About N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide (PubChem CID 46379395) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide
PubChem CID46379395
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H18N4O2S/c23-15-16-9-12-18(13-10-16)29(27,28)26-19-6-2-1-5-17(19)11-14-22-24-20-7-3-4-8-21(20)25-22/h1-10,12-13,26H,11,14H2,(H,24,25)
InChIKeyOGUDJOUDYXTVBE-UHFFFAOYSA-N
XLogP4.02
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 46379403
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
4-cyano-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]benzenesulfonamide
CID 33332114
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-ethoxyacetamide
CID 46328498
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 50784266
2-butyl-N-(2-nitrophenyl)-3H-benzimidazole-5-sulfonamide
CID 171977614
3-(1H-benzimidazol-2-yl)propanenitrile;N,N-dimethylformamide
CID 174781371
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-butoxybenzenesulfonamide
CID 3797349

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide (CID 46379395) is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide?
The InChIKey is OGUDJOUDYXTVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c23-15-16-9-12-18(13-10-16)29(27,28)26-19-6-2-1-5-17(19)11-14-22-24-20-7-3-4-8-21(20)25-22/h1-10,12-13,26H,11,14H2,(H,24,25).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide?
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 46379395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).