N-benzyl-N-(cyanomethyl)benzenesulfonamide

C15H14N2O2S — CID 51258343

IUPACN-benzyl-N-(cyanomethyl)benzenesulfonamide
SMILESN#CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,12-13H2
InChIKeyWRTASCQYNFZJHY-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.40
Rot. Bonds5

About N-benzyl-N-(cyanomethyl)benzenesulfonamide

N-benzyl-N-(cyanomethyl)benzenesulfonamide (PubChem CID 51258343) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)benzenesulfonamide
PubChem CID51258343
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-benzyl-N-(cyanomethyl)benzenesulfonamide
SMILESN#CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,12-13H2
InChIKeyWRTASCQYNFZJHY-UHFFFAOYSA-N
XLogP2.40
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061
3-amino-N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 61127015
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
4-(bromomethyl)-N,N-bis(cyanomethyl)benzenesulfonamide
CID 65480598
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
N-(2-amino-2-methylpropyl)-N-benzylbenzenesulfonamide
CID 91136182
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)benzenesulfonamide (CID 51258343) is N-benzyl-N-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)benzenesulfonamide is N#CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)benzenesulfonamide?
The InChIKey is WRTASCQYNFZJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,12-13H2.
What are the key properties of N-benzyl-N-(cyanomethyl)benzenesulfonamide?
N-benzyl-N-(cyanomethyl)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 51258343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).