3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one

C16H12ClNO3S — CID 2136458

IUPAC3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C16H12ClNO3S/c1-10-2-7-14-13(8-10)16(19)15(9-18-14)22(20,21)12-5-3-11(17)4-6-12/h2-9H,1H3,(H,18,19)
InChIKeyZHJCJCDKSDVJGU-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one

3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one (PubChem CID 2136458) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
PubChem CID2136458
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C16H12ClNO3S/c1-10-2-7-14-13(8-10)16(19)15(9-18-14)22(20,21)12-5-3-11(17)4-6-12/h2-9H,1H3,(H,18,19)
InChIKeyZHJCJCDKSDVJGU-UHFFFAOYSA-N
XLogP3.32
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one (CID 2136458) is 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
The InChIKey is ZHJCJCDKSDVJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-10-2-7-14-13(8-10)16(19)15(9-18-14)22(20,21)12-5-3-11(17)4-6-12/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one?
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one has a molecular weight of 333.80 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 2136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).