2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide

C24H21N3O3S — CID 60556006

IUPAC2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4ncccc4c3)c2)c1
InChIInChI=1S/C24H21N3O3S/c1-16-5-3-7-20(13-16)27-31(29,30)21-10-8-17(2)22(15-21)24(28)26-19-9-11-23-18(14-19)6-4-12-25-23/h3-15,27H,1-2H3,(H,26,28)
InChIKeyNRZPHRHTSSPVHP-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.90
Rot. Bonds5

About 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide (PubChem CID 60556006) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
PubChem CID60556006
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4ncccc4c3)c2)c1
InChIInChI=1S/C24H21N3O3S/c1-16-5-3-7-20(13-16)27-31(29,30)21-10-8-17(2)22(15-21)24(28)26-19-9-11-23-18(14-19)6-4-12-25-23/h3-15,27H,1-2H3,(H,26,28)
InChIKeyNRZPHRHTSSPVHP-UHFFFAOYSA-N
XLogP4.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
2-methyl-N-(3-methylphenyl)-5-(methylsulfamoyl)benzamide
CID 51297733
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 26712447
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 30797973
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-methoxy-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 30796988
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55968651
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 134031360
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55722019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide?
The IUPAC name of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide (CID 60556006) is 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide?
The canonical SMILES for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4ncccc4c3)c2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide?
The InChIKey is NRZPHRHTSSPVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-16-5-3-7-20(13-16)27-31(29,30)21-10-8-17(2)22(15-21)24(28)26-19-9-11-23-18(14-19)6-4-12-25-23/h3-15,27H,1-2H3,(H,26,28).
What are the key properties of 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide?
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide has a molecular weight of 431.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 60556006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).