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

C15H16ClNO3S — CID 1487305

IUPAC3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)ccc(Cl)c2C)c(=O)[nH]1
InChIInChI=1S/C15H16ClNO3S/c1-8-5-6-12(16)11(4)13(8)21(19,20)14-9(2)7-10(3)17-15(14)18/h5-7H,1-4H3,(H,17,18)
InChIKeyBZDBXPRCVUOCMH-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.09
Rot. Bonds2

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

3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 1487305) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
PubChem CID1487305
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(S(=O)(=O)c2c(C)ccc(Cl)c2C)c(=O)[nH]1
InChIInChI=1S/C15H16ClNO3S/c1-8-5-6-12(16)11(4)13(8)21(19,20)14-9(2)7-10(3)17-15(14)18/h5-7H,1-4H3,(H,17,18)
InChIKeyBZDBXPRCVUOCMH-UHFFFAOYSA-N
XLogP3.09
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one (CID 1487305) is 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(S(=O)(=O)c2c(C)ccc(Cl)c2C)c(=O)[nH]1.
What is the InChIKey of 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is BZDBXPRCVUOCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-8-5-6-12(16)11(4)13(8)21(19,20)14-9(2)7-10(3)17-15(14)18/h5-7H,1-4H3,(H,17,18).
What are the key properties of 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one?
3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 325.82 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2,6-dimethylphenyl)sulfonyl-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 1487305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).