2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide

C24H19ClN2O4S — CID 2136336

IUPAC2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H19ClN2O4S/c1-16-10-11-21-20(12-16)24(29)22(32(30,31)19-8-3-2-4-9-19)14-27(21)15-23(28)26-18-7-5-6-17(25)13-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyBVZUJNVHHOHOPN-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.43
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide

2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 2136336) has the molecular formula C24H19ClN2O4S and a molecular weight of 466.95 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID2136336
Molecular FormulaC24H19ClN2O4S
Molecular Weight466.95 g/mol
Exact Mass466.08
IUPAC Name2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H19ClN2O4S/c1-16-10-11-21-20(12-16)24(29)22(32(30,31)19-8-3-2-4-9-19)14-27(21)15-23(28)26-18-7-5-6-17(25)13-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyBVZUJNVHHOHOPN-UHFFFAOYSA-N
XLogP4.43
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2136643
2-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide (CID 2136336) is 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide is Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is BVZUJNVHHOHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4S/c1-16-10-11-21-20(12-16)24(29)22(32(30,31)19-8-3-2-4-9-19)14-27(21)15-23(28)26-18-7-5-6-17(25)13-18/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide?
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 466.95 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 2136336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).