N-(4-cyanophenyl)methanesulfonamide

C8H8N2O2S — CID 2734199

IUPACN-(4-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKeyBRDHOCVMWSXEHI-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.93
Rot. Bonds2

About N-(4-cyanophenyl)methanesulfonamide

N-(4-cyanophenyl)methanesulfonamide (PubChem CID 2734199) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is N-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)methanesulfonamide
PubChem CID2734199
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC NameN-(4-cyanophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChIKeyBRDHOCVMWSXEHI-UHFFFAOYSA-N
XLogP0.93
TPSA69.96 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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)methanesulfonamide (CID 2734199) is N-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)methanesulfonamide?
The InChIKey is BRDHOCVMWSXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3.
What are the key properties of N-(4-cyanophenyl)methanesulfonamide?
N-(4-cyanophenyl)methanesulfonamide has a molecular weight of 196.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 2734199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).