2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

C24H19ClN2O5S — CID 2137970

IUPAC2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-18-8-10-19(11-9-18)33(30,31)22-14-27(15-23(28)26-17-5-3-2-4-6-17)21-12-7-16(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28)
InChIKeyRPDCMWUVNXLKMK-UHFFFAOYSA-N
MW482.95 g/mol
LogP4.14
Rot. Bonds6

About 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 2137970) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID2137970
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-18-8-10-19(11-9-18)33(30,31)22-14-27(15-23(28)26-17-5-3-2-4-6-17)21-12-7-16(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28)
InChIKeyRPDCMWUVNXLKMK-UHFFFAOYSA-N
XLogP4.14
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 2137970) is 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is RPDCMWUVNXLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-32-18-8-10-19(11-9-18)33(30,31)22-14-27(15-23(28)26-17-5-3-2-4-6-17)21-12-7-16(25)13-20(21)24(22)29/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 482.95 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2137970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).