N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

C23H19N3O3S — CID 3556441

IUPACN-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c1
InChIInChI=1S/C23H19N3O3S/c1-16-5-2-8-20(15-16)25-23(27)18-10-12-19(13-11-18)26-30(28,29)21-9-3-6-17-7-4-14-24-22(17)21/h2-15,26H,1H3,(H,25,27)
InChIKeyJZHSPAOYTKQDQH-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.60
Rot. Bonds5

About N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 3556441) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID3556441
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c1
InChIInChI=1S/C23H19N3O3S/c1-16-5-2-8-20(15-16)25-23(27)18-10-12-19(13-11-18)26-30(28,29)21-9-3-6-17-7-4-14-24-22(17)21/h2-15,26H,1H3,(H,25,27)
InChIKeyJZHSPAOYTKQDQH-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (CID 3556441) is N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is JZHSPAOYTKQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-16-5-2-8-20(15-16)25-23(27)18-10-12-19(13-11-18)26-30(28,29)21-9-3-6-17-7-4-14-24-22(17)21/h2-15,26H,1H3,(H,25,27).
What are the key properties of N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide 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 N-(3-methylphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 3556441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).