3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

C13H12ClNO3S — CID 3842000

IUPAC3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H12ClNO3S/c1-8-7-9(2)15-13(16)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3,(H,15,16)
InChIKeyWLZGBDNHKOVOFH-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.48
Rot. Bonds2

About 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one

3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 3842000) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID3842000
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H12ClNO3S/c1-8-7-9(2)15-13(16)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3,(H,15,16)
InChIKeyWLZGBDNHKOVOFH-UHFFFAOYSA-N
XLogP2.48
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (CID 3842000) is 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is WLZGBDNHKOVOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-8-7-9(2)15-13(16)12(8)19(17,18)11-6-4-3-5-10(11)14/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 297.76 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 3842000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).