N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

C23H19N3O4S — CID 3556444

IUPACN-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-20-13-11-18(12-14-20)25-23(27)17-7-9-19(10-8-17)26-31(28,29)21-6-2-4-16-5-3-15-24-22(16)21/h2-15,26H,1H3,(H,25,27)
InChIKeyOMMGZHIELVJMLH-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.30
Rot. Bonds6

About N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 3556444) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID3556444
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-20-13-11-18(12-14-20)25-23(27)17-7-9-19(10-8-17)26-31(28,29)21-6-2-4-16-5-3-15-24-22(16)21/h2-15,26H,1H3,(H,25,27)
InChIKeyOMMGZHIELVJMLH-UHFFFAOYSA-N
XLogP4.30
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (CID 3556444) is N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is OMMGZHIELVJMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-20-13-11-18(12-14-20)25-23(27)17-7-9-19(10-8-17)26-31(28,29)21-6-2-4-16-5-3-15-24-22(16)21/h2-15,26H,1H3,(H,25,27).
What are the key properties of N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 433.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 3556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).