N-(benzenesulfonyl)-3-chlorobenzamide

C13H10ClNO3S — CID 777284

IUPACN-(benzenesulfonyl)-3-chlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKeyDJSQINVZCPTFCW-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.46
Rot. Bonds3

About N-(benzenesulfonyl)-3-chlorobenzamide

N-(benzenesulfonyl)-3-chlorobenzamide (PubChem CID 777284) has the molecular formula C13H10ClNO3S and a molecular weight of 295.75 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-chlorobenzamide
PubChem CID777284
Molecular FormulaC13H10ClNO3S
Molecular Weight295.75 g/mol
Exact Mass295.01
IUPAC NameN-(benzenesulfonyl)-3-chlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKeyDJSQINVZCPTFCW-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(benzenesulfonyl)-3-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-chlorobenzamide?
The IUPAC name of N-(benzenesulfonyl)-3-chlorobenzamide (CID 777284) is N-(benzenesulfonyl)-3-chlorobenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-chlorobenzamide?
The canonical SMILES for N-(benzenesulfonyl)-3-chlorobenzamide is O=C(NS(=O)(=O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-(benzenesulfonyl)-3-chlorobenzamide?
The InChIKey is DJSQINVZCPTFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S/c14-11-6-4-5-10(9-11)13(16)15-19(17,18)12-7-2-1-3-8-12/h1-9H,(H,15,16).
What are the key properties of N-(benzenesulfonyl)-3-chlorobenzamide?
N-(benzenesulfonyl)-3-chlorobenzamide has a molecular weight of 295.75 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-chlorobenzamide is sourced from PubChem (CID 777284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).