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

C17H14ClNO4S — CID 2144885

IUPAC3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C17H14ClNO4S/c1-2-23-12-5-8-15-14(9-12)17(20)16(10-19-15)24(21,22)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3,(H,19,20)
InChIKeyIQNUHSAHJVXATQ-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.41
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one (PubChem CID 2144885) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
PubChem CID2144885
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C17H14ClNO4S/c1-2-23-12-5-8-15-14(9-12)17(20)16(10-19-15)24(21,22)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3,(H,19,20)
InChIKeyIQNUHSAHJVXATQ-UHFFFAOYSA-N
XLogP3.41
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one (CID 2144885) is 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one is CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
The InChIKey is IQNUHSAHJVXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c1-2-23-12-5-8-15-14(9-12)17(20)16(10-19-15)24(21,22)13-6-3-11(18)4-7-13/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one?
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one has a molecular weight of 363.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-ethoxy-1H-quinolin-4-one is sourced from PubChem (CID 2144885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).