N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide

C16H14N4O2S — CID 35385409

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H14N4O2S/c1-20(11-16-18-13-7-3-4-8-14(13)19-16)23(21,22)15-9-5-2-6-12(15)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKeyCDQUSWDZQLTAIQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.26
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide

N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide (PubChem CID 35385409) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
PubChem CID35385409
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C16H14N4O2S/c1-20(11-16-18-13-7-3-4-8-14(13)19-16)23(21,22)15-9-5-2-6-12(15)10-17/h2-9H,11H2,1H3,(H,18,19)
InChIKeyCDQUSWDZQLTAIQ-UHFFFAOYSA-N
XLogP2.26
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-fluoro-N-methylbenzenesulfonamide
CID 35385353
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyanobenzenesulfonamide
CID 110711939
N-(1H-benzimidazol-2-ylmethyl)-4-ethylsulfonyl-N-methylbenzenesulfonamide
CID 55906277
N-(1H-benzimidazol-2-ylmethyl)-3,5-dichloro-N-methylbenzenesulfonamide
CID 35385421
N-(1H-benzimidazol-2-ylmethyl)-N-methylthiophene-2-sulfonamide
CID 35385383
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 35385496
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 110870140
N-[(4-bromothiophen-2-yl)methyl]-2-cyano-N-methylbenzenesulfonamide
CID 47318833
2-[[methyl-[(1-oxothiolan-1-ylidene)amino]sulfonylamino]methyl]-1H-benzimidazole
CID 126823525
2-[(2-cyanophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356240

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide (CID 35385409) is N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide is CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide?
The InChIKey is CDQUSWDZQLTAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-20(11-16-18-13-7-3-4-8-14(13)19-16)23(21,22)15-9-5-2-6-12(15)10-17/h2-9H,11H2,1H3,(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide?
N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 35385409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).