N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide

C8H9ClFNO2S — CID 54142573

IUPACN-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc(F)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-11(14(2,12)13)8-4-3-6(10)5-7(8)9/h3-5H,1-2H3
InChIKeyOCCHECORHAHPRC-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.87
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide

N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 54142573) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID54142573
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc(F)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-11(14(2,12)13)8-4-3-6(10)5-7(8)9/h3-5H,1-2H3
InChIKeyOCCHECORHAHPRC-UHFFFAOYSA-N
XLogP1.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide (CID 54142573) is N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide is CN(c1ccc(F)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is OCCHECORHAHPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-11(14(2,12)13)8-4-3-6(10)5-7(8)9/h3-5H,1-2H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide?
N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 54142573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).