2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide

C18H13Cl2N3O3S — CID 52948348

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-7-4-11(9-14(15)17-3-1-2-8-22-17)23-18(24)13-6-5-12(10-16(13)20)27(21,25)26/h1-10H,(H,23,24)(H2,21,25,26)
InChIKeyDBFGZFKTRBJZCE-UHFFFAOYSA-N
MW422.29 g/mol
LogP3.96
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide (PubChem CID 52948348) has the molecular formula C18H13Cl2N3O3S and a molecular weight of 422.29 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide
PubChem CID52948348
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.29 g/mol
Exact Mass421.01
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O3S/c19-15-7-4-11(9-14(15)17-3-1-2-8-22-17)23-18(24)13-6-5-12(10-16(13)20)27(21,25)26/h1-10H,(H,23,24)(H2,21,25,26)
InChIKeyDBFGZFKTRBJZCE-UHFFFAOYSA-N
XLogP3.96
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide (CID 52948348) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide?
The InChIKey is DBFGZFKTRBJZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3S/c19-15-7-4-11(9-14(15)17-3-1-2-8-22-17)23-18(24)13-6-5-12(10-16(13)20)27(21,25)26/h1-10H,(H,23,24)(H2,21,25,26).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide has a molecular weight of 422.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 52948348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).