N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide

C9H12ClNO2S — CID 166647420

IUPACN-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cccc(Cl)c1N(C)S(C)(=O)=O
InChIInChI=1S/C9H12ClNO2S/c1-7-5-4-6-8(10)9(7)11(2)14(3,12)13/h4-6H,1-3H3
InChIKeyIYPUHDYGAOZKGB-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.04
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide

N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide (PubChem CID 166647420) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide
PubChem CID166647420
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC NameN-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cccc(Cl)c1N(C)S(C)(=O)=O
InChIInChI=1S/C9H12ClNO2S/c1-7-5-4-6-8(10)9(7)11(2)14(3,12)13/h4-6H,1-3H3
InChIKeyIYPUHDYGAOZKGB-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide (CID 166647420) is N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide is Cc1cccc(Cl)c1N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide?
The InChIKey is IYPUHDYGAOZKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-7-5-4-6-8(10)9(7)11(2)14(3,12)13/h4-6H,1-3H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide?
N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide has a molecular weight of 233.72 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 166647420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).