N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide

C10H12N2O2S — CID 66980892

IUPACN-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cccc(N(C)S(C)(=O)=O)c1C#N
InChIInChI=1S/C10H12N2O2S/c1-8-5-4-6-10(9(8)7-11)12(2)15(3,13)14/h4-6H,1-3H3
InChIKeyLIMFJPQAWQPUKV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.26
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide

N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide (PubChem CID 66980892) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide
PubChem CID66980892
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cccc(N(C)S(C)(=O)=O)c1C#N
InChIInChI=1S/C10H12N2O2S/c1-8-5-4-6-10(9(8)7-11)12(2)15(3,13)14/h4-6H,1-3H3
InChIKeyLIMFJPQAWQPUKV-UHFFFAOYSA-N
XLogP1.26
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide (CID 66980892) is N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide is Cc1cccc(N(C)S(C)(=O)=O)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide?
The InChIKey is LIMFJPQAWQPUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-8-5-4-6-10(9(8)7-11)12(2)15(3,13)14/h4-6H,1-3H3.
What are the key properties of N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide?
N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 66980892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).