N-benzyl-2-(cyanomethyl)benzenesulfonamide

C15H14N2O2S — CID 90959360

IUPACN-benzyl-2-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-11-10-14-8-4-5-9-15(14)20(18,19)17-12-13-6-2-1-3-7-13/h1-9,17H,10,12H2
InChIKeyBULKWRJCOXIMCD-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.23
Rot. Bonds5

About N-benzyl-2-(cyanomethyl)benzenesulfonamide

N-benzyl-2-(cyanomethyl)benzenesulfonamide (PubChem CID 90959360) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-benzyl-2-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(cyanomethyl)benzenesulfonamide
PubChem CID90959360
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-benzyl-2-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-11-10-14-8-4-5-9-15(14)20(18,19)17-12-13-6-2-1-3-7-13/h1-9,17H,10,12H2
InChIKeyBULKWRJCOXIMCD-UHFFFAOYSA-N
XLogP2.23
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyanomethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 91137073
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
N-benzyl-3-(cyanomethyl)benzenesulfonamide
CID 91388949
N-benzyl-2-(ethylamino)benzenesulfonamide
CID 62148548
N-benzyl-2-(prop-2-ynylamino)benzenesulfonamide
CID 135018070
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-amino-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 61128052
2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(cyanomethyl)benzenesulfonamide (CID 90959360) is N-benzyl-2-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(cyanomethyl)benzenesulfonamide is N#CCc1ccccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(cyanomethyl)benzenesulfonamide?
The InChIKey is BULKWRJCOXIMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-11-10-14-8-4-5-9-15(14)20(18,19)17-12-13-6-2-1-3-7-13/h1-9,17H,10,12H2.
What are the key properties of N-benzyl-2-(cyanomethyl)benzenesulfonamide?
N-benzyl-2-(cyanomethyl)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 90959360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).