1-(4-chlorophenyl)-N-methylmethanesulfonamide

C8H10ClNO2S — CID 1248124

IUPAC1-(4-chlorophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyYPYACBWYLBGTPU-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.39
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methylmethanesulfonamide

1-(4-chlorophenyl)-N-methylmethanesulfonamide (PubChem CID 1248124) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methylmethanesulfonamide
PubChem CID1248124
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name1-(4-chlorophenyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyYPYACBWYLBGTPU-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methylmethanesulfonamide (CID 1248124) is 1-(4-chlorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methylmethanesulfonamide is CNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methylmethanesulfonamide?
The InChIKey is YPYACBWYLBGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methylmethanesulfonamide?
1-(4-chlorophenyl)-N-methylmethanesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 1248124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).