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

C23H19N3O3S — CID 55376504

IUPAC3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C23H19N3O3S/c1-16-6-4-9-19(14-16)26-30(28,29)20-10-5-8-18(15-20)23(27)25-22-13-12-17-7-2-3-11-21(17)24-22/h2-15,26H,1H3,(H,24,25,27)
InChIKeyJHXHWLMROJCXPF-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.60
Rot. Bonds5

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

3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide (PubChem CID 55376504) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
PubChem CID55376504
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C23H19N3O3S/c1-16-6-4-9-19(14-16)26-30(28,29)20-10-5-8-18(15-20)23(27)25-22-13-12-17-7-2-3-11-21(17)24-22/h2-15,26H,1H3,(H,24,25,27)
InChIKeyJHXHWLMROJCXPF-UHFFFAOYSA-N
XLogP4.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
4-methyl-N-(3-methylphenyl)-3-[(quinoline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 30797973
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537969
3-[(4-methyl-2-pyridinyl)sulfamoyl]-N-phenylbenzamide
CID 27187007
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide?
The IUPAC name of 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide (CID 55376504) is 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide?
The canonical SMILES for 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide?
The InChIKey is JHXHWLMROJCXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-16-6-4-9-19(14-16)26-30(28,29)20-10-5-8-18(15-20)23(27)25-22-13-12-17-7-2-3-11-21(17)24-22/h2-15,26H,1H3,(H,24,25,27).
What are the key properties of 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide?
3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide has a molecular weight of 417.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfamoyl]-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 55376504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).