3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one

C18H14ClF2NO3S — CID 53337141

IUPAC3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C18H14ClF2NO3S/c1-2-6-22-10-17(26(24,25)12-5-3-4-11(19)7-12)18(23)13-8-14(20)15(21)9-16(13)22/h3-5,7-10H,2,6H2,1H3
InChIKeyMVIMFVHCPHLFMI-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.18
Rot. Bonds4

About 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one

3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one (PubChem CID 53337141) has the molecular formula C18H14ClF2NO3S and a molecular weight of 397.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
PubChem CID53337141
Molecular FormulaC18H14ClF2NO3S
Molecular Weight397.83 g/mol
Exact Mass397.04
IUPAC Name3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one
SMILESCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C18H14ClF2NO3S/c1-2-6-22-10-17(26(24,25)12-5-3-4-11(19)7-12)18(23)13-8-14(20)15(21)9-16(13)22/h3-5,7-10H,2,6H2,1H3
InChIKeyMVIMFVHCPHLFMI-UHFFFAOYSA-N
XLogP4.18
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one (CID 53337141) is 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one is CCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one?
The InChIKey is MVIMFVHCPHLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO3S/c1-2-6-22-10-17(26(24,25)12-5-3-4-11(19)7-12)18(23)13-8-14(20)15(21)9-16(13)22/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one?
3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one has a molecular weight of 397.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-6,7-difluoro-1-propylquinolin-4-one is sourced from PubChem (CID 53337141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).