(4-cyanophenyl)methanesulfonamide

C8H8N2O2S — CID 7131562

IUPAC(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKeySZJRAEXJNGIIDT-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.35
Rot. Bonds2

About (4-cyanophenyl)methanesulfonamide

(4-cyanophenyl)methanesulfonamide (PubChem CID 7131562) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is (4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-cyanophenyl)methanesulfonamide
PubChem CID7131562
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12)
InChIKeySZJRAEXJNGIIDT-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

p-Cyanobenzenesulphonamide
CID 76566
Benzenemethanesulfonamide
CID 78318
Benzeneethanesulfonamide
CID 204808
3-Phenylpropane-1-sulfonamide
CID 12574638
(1E)-2-Phenylethenesulfonamide
CID 5357731
3-Cyanobenzene-1-sulfonamide
CID 2808718
(3-Fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
2-Phenylethenesulfonamide
CID 257501
N-Phenylmethanesulfonylguanidine
CID 10822474
(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
CID 154716018
Benzenesulfonamide, p-(cyanomethyl)-
CID 199070
(4-Cyanophenyl)methanesulfonyl chloride
CID 15480555

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methanesulfonamide?
The IUPAC name of (4-cyanophenyl)methanesulfonamide (CID 7131562) is (4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for (4-cyanophenyl)methanesulfonamide?
The canonical SMILES for (4-cyanophenyl)methanesulfonamide is N#Cc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of (4-cyanophenyl)methanesulfonamide?
The InChIKey is SZJRAEXJNGIIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-5-7-1-3-8(4-2-7)6-13(10,11)12/h1-4H,6H2,(H2,10,11,12).
What are the key properties of (4-cyanophenyl)methanesulfonamide?
(4-cyanophenyl)methanesulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 7131562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).