N-(2-chloro-4-methylphenyl)methanesulfonamide

C8H10ClNO2S — CID 19785609

IUPACN-(2-chloro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyQBNRIPARNPFTSA-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.02
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)methanesulfonamide

N-(2-chloro-4-methylphenyl)methanesulfonamide (PubChem CID 19785609) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)methanesulfonamide
PubChem CID19785609
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC NameN-(2-chloro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyQBNRIPARNPFTSA-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)methanesulfonamide (CID 19785609) is N-(2-chloro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)methanesulfonamide?
The InChIKey is QBNRIPARNPFTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-3-4-8(7(9)5-6)10-13(2,11)12/h3-5,10H,1-2H3.
What are the key properties of N-(2-chloro-4-methylphenyl)methanesulfonamide?
N-(2-chloro-4-methylphenyl)methanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 19785609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).