N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide

C24H21N3O5S — CID 1295005

IUPACN-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C24H21N3O5S/c1-31-17-12-13-21(32-2)20(15-17)26-24(28)18-9-3-4-10-19(18)27-33(29,30)22-11-5-7-16-8-6-14-25-23(16)22/h3-15,27H,1-2H3,(H,26,28)
InChIKeyQQHKDSALXVZYJY-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.31
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide

N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 1295005) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID1295005
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C24H21N3O5S/c1-31-17-12-13-21(32-2)20(15-17)26-24(28)18-9-3-4-10-19(18)27-33(29,30)22-11-5-7-16-8-6-14-25-23(16)22/h3-15,27H,1-2H3,(H,26,28)
InChIKeyQQHKDSALXVZYJY-UHFFFAOYSA-N
XLogP4.31
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide (CID 1295005) is N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide is COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is QQHKDSALXVZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-31-17-12-13-21(32-2)20(15-17)26-24(28)18-9-3-4-10-19(18)27-33(29,30)22-11-5-7-16-8-6-14-25-23(16)22/h3-15,27H,1-2H3,(H,26,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide?
N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 463.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 1295005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).