N-(2-cyano-5-methylphenyl)methanesulfonamide

C9H10N2O2S — CID 67099534

IUPACN-(2-cyano-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(C#N)c(NS(C)(=O)=O)c1
InChIInChI=1S/C9H10N2O2S/c1-7-3-4-8(6-10)9(5-7)11-14(2,12)13/h3-5,11H,1-2H3
InChIKeyISTOGEAIRVBXNV-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.24
Rot. Bonds2

About N-(2-cyano-5-methylphenyl)methanesulfonamide

N-(2-cyano-5-methylphenyl)methanesulfonamide (PubChem CID 67099534) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(2-cyano-5-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-5-methylphenyl)methanesulfonamide
PubChem CID67099534
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-(2-cyano-5-methylphenyl)methanesulfonamide
SMILESCc1ccc(C#N)c(NS(C)(=O)=O)c1
InChIInChI=1S/C9H10N2O2S/c1-7-3-4-8(6-10)9(5-7)11-14(2,12)13/h3-5,11H,1-2H3
InChIKeyISTOGEAIRVBXNV-UHFFFAOYSA-N
XLogP1.24
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-cyano-5-methylphenyl)methanesulfonamide (CID 67099534) is N-(2-cyano-5-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyano-5-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyano-5-methylphenyl)methanesulfonamide is Cc1ccc(C#N)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-(2-cyano-5-methylphenyl)methanesulfonamide?
The InChIKey is ISTOGEAIRVBXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-7-3-4-8(6-10)9(5-7)11-14(2,12)13/h3-5,11H,1-2H3.
What are the key properties of N-(2-cyano-5-methylphenyl)methanesulfonamide?
N-(2-cyano-5-methylphenyl)methanesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5-methylphenyl)methanesulfonamide is sourced from PubChem (CID 67099534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).