2-(cyanomethyl)benzenesulfonamide

C8H8N2O2S — CID 21491997

IUPAC2-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5H2,(H2,10,11,12)
InChIKeyQEVWMXVHIOULGX-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.40
Rot. Bonds2

About 2-(cyanomethyl)benzenesulfonamide

2-(cyanomethyl)benzenesulfonamide (PubChem CID 21491997) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(cyanomethyl)benzenesulfonamide
PubChem CID21491997
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H8N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5H2,(H2,10,11,12)
InChIKeyQEVWMXVHIOULGX-UHFFFAOYSA-N
XLogP0.40
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylbenzenesulfonamide
CID 6924
p-Cyanobenzenesulphonamide
CID 76566
4-Ethylbenzenesulfonamide
CID 222870
4-Butylbenzenesulfonamide
CID 2054776
4-Propylbenzenesulfonamide
CID 2265561
N-Ethyl-o-toluenesulfonamide
CID 14110
4-(4-Cyanophenyl)benzenesulfonamide
CID 102354117
2-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 11010480
2-cyano-N,N-dimethylbenzenesulfonamide
CID 697873
3-cyano-N,N-dimethylbenzenesulfonamide
CID 8467960
2-Phenylbenzene-1-sulfonamide
CID 12371520
4-(Sulfonamido)styrene
CID 280935

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)benzenesulfonamide?
The IUPAC name of 2-(cyanomethyl)benzenesulfonamide (CID 21491997) is 2-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for 2-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for 2-(cyanomethyl)benzenesulfonamide is N#CCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(cyanomethyl)benzenesulfonamide?
The InChIKey is QEVWMXVHIOULGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5H2,(H2,10,11,12).
What are the key properties of 2-(cyanomethyl)benzenesulfonamide?
2-(cyanomethyl)benzenesulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 21491997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).