5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide

C24H21N3O3S — CID 30287242

IUPAC5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C24H21N3O3S/c1-17-12-13-19(31(29,30)26-16-18-7-3-2-4-8-18)15-21(17)24(28)27-23-11-5-10-22-20(23)9-6-14-25-22/h2-15,26H,16H2,1H3,(H,27,28)
InChIKeyJPTFWVUDYKLCDO-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.27
Rot. Bonds6

About 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide

5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide (PubChem CID 30287242) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
PubChem CID30287242
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C24H21N3O3S/c1-17-12-13-19(31(29,30)26-16-18-7-3-2-4-8-18)15-21(17)24(28)27-23-11-5-10-22-20(23)9-6-14-25-22/h2-15,26H,16H2,1H3,(H,27,28)
InChIKeyJPTFWVUDYKLCDO-UHFFFAOYSA-N
XLogP4.27
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamidomethyl)-N-quinolin-5-ylbenzamide
CID 42534314
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
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5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
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5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
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5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
N-(2-methyl-5-methylsulfonylphenyl)quinoline-5-carboxamide
CID 43040079
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide (CID 30287242) is 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide is Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide?
The InChIKey is JPTFWVUDYKLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-17-12-13-19(31(29,30)26-16-18-7-3-2-4-8-18)15-21(17)24(28)27-23-11-5-10-22-20(23)9-6-14-25-22/h2-15,26H,16H2,1H3,(H,27,28).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide?
5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide has a molecular weight of 431.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 30287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).