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

C16H14N4O2S — CID 110711939

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O2S/c17-11-12-5-1-4-8-15(12)23(21,22)18-10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,18H,9-10H2,(H,19,20)
InChIKeyNBBIRFUXPBMPDL-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.96
Rot. Bonds5

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide (PubChem CID 110711939) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
PubChem CID110711939
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O2S/c17-11-12-5-1-4-8-15(12)23(21,22)18-10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,18H,9-10H2,(H,19,20)
InChIKeyNBBIRFUXPBMPDL-UHFFFAOYSA-N
XLogP1.96
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
CID 35385409
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-[2-(1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693515
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-nitrobenzenesulfonamide
CID 110711936
2-[2-(1H-benzimidazol-2-yl)ethylamino]-5-nitrobenzonitrile
CID 51429599
3-[3-(1H-benzimidazol-2-yl)propylsulfamoyl]-4,5-dimethylbenzoic acid
CID 25351513
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110711924
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110711922
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
N-(1H-benzimidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 79013941
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide (CID 110711939) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide?
The InChIKey is NBBIRFUXPBMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c17-11-12-5-1-4-8-15(12)23(21,22)18-10-9-16-19-13-6-2-3-7-14(13)20-16/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide is sourced from PubChem (CID 110711939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).