N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

C23H19N3O4S — CID 1294684

IUPACN-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-20-9-3-2-8-19(20)25-23(27)17-11-13-18(14-12-17)26-31(28,29)21-10-4-6-16-7-5-15-24-22(16)21/h2-15,26H,1H3,(H,25,27)
InChIKeyBPDROWZKSOVZHV-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.30
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 1294684) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID1294684
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H19N3O4S/c1-30-20-9-3-2-8-19(20)25-23(27)17-11-13-18(14-12-17)26-31(28,29)21-10-4-6-16-7-5-15-24-22(16)21/h2-15,26H,1H3,(H,25,27)
InChIKeyBPDROWZKSOVZHV-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-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (CID 1294684) is N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is BPDROWZKSOVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-20-9-3-2-8-19(20)25-23(27)17-11-13-18(14-12-17)26-31(28,29)21-10-4-6-16-7-5-15-24-22(16)21/h2-15,26H,1H3,(H,25,27).
What are the key properties of N-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
N-(2-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-(2-methoxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 1294684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).