7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one

C16H12ClNO4S — CID 22425128

IUPAC7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDLVFUWYNNRPXPH-UHFFFAOYSA-N
MW349.80 g/mol
LogP3.02
Rot. Bonds3

About 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one

7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 22425128) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID22425128
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Name7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one
SMILESCOc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1
InChIInChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19)
InChIKeyDLVFUWYNNRPXPH-UHFFFAOYSA-N
XLogP3.02
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one (CID 22425128) is 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one is COc1cccc(S(=O)(=O)c2c[nH]c3cc(Cl)ccc3c2=O)c1.
What is the InChIKey of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is DLVFUWYNNRPXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c1-22-11-3-2-4-12(8-11)23(20,21)15-9-18-14-7-10(17)5-6-13(14)16(15)19/h2-9H,1H3,(H,18,19).
What are the key properties of 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one?
7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 349.80 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methoxyphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 22425128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).