1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one

C16H13ClFNO4S — CID 110406671

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO4S/c1-23-15-5-2-10(17)8-16(15)24(21,22)19-7-6-14(20)12-9-11(18)3-4-13(12)19/h2-5,8-9H,6-7H2,1H3
InChIKeyPSELHYUPUVSWON-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.27
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one

1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one (PubChem CID 110406671) has the molecular formula C16H13ClFNO4S and a molecular weight of 369.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
PubChem CID110406671
Molecular FormulaC16H13ClFNO4S
Molecular Weight369.80 g/mol
Exact Mass369.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(=O)c2cc(F)ccc21
InChIInChI=1S/C16H13ClFNO4S/c1-23-15-5-2-10(17)8-16(15)24(21,22)19-7-6-14(20)12-9-11(18)3-4-13(12)19/h2-5,8-9H,6-7H2,1H3
InChIKeyPSELHYUPUVSWON-UHFFFAOYSA-N
XLogP3.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110635146
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382919
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 86621011
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(3-chlorophenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635300
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate
CID 68695985
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one (CID 110406671) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(=O)c2cc(F)ccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
The InChIKey is PSELHYUPUVSWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO4S/c1-23-15-5-2-10(17)8-16(15)24(21,22)19-7-6-14(20)12-9-11(18)3-4-13(12)19/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one?
1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one has a molecular weight of 369.80 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).