N-(benzenesulfonyl)-3,4-dichlorobenzamide

C13H9Cl2NO3S — CID 47108670

IUPACN-(benzenesulfonyl)-3,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3S/c14-11-7-6-9(8-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyTYWATGXEBFMKLB-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.11
Rot. Bonds3

About N-(benzenesulfonyl)-3,4-dichlorobenzamide

N-(benzenesulfonyl)-3,4-dichlorobenzamide (PubChem CID 47108670) has the molecular formula C13H9Cl2NO3S and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3,4-dichlorobenzamide
PubChem CID47108670
Molecular FormulaC13H9Cl2NO3S
Molecular Weight330.19 g/mol
Exact Mass328.97
IUPAC NameN-(benzenesulfonyl)-3,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl2NO3S/c14-11-7-6-9(8-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChIKeyTYWATGXEBFMKLB-UHFFFAOYSA-N
XLogP3.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(benzenesulfonyl)-3,4-dichlorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
4-amino-N-(benzenesulfonyl)-3-bromobenzamide
CID 103308919
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
N-(benzenesulfonyl)-2-chloropyridine-3-carboxamide
CID 57401428
3-(3,4-dichlorophenyl)-N-[4-(2-methoxyphenoxy)phenyl]sulfonylbenzamide
CID 53473480
3,4-dichloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078174
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N'-(benzenesulfonyl)-4-chloro-3-nitrobenzohydrazide
CID 3409040
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(benzenesulfonyl)-3,4-dichlorobenzamide (CID 47108670) is N-(benzenesulfonyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(benzenesulfonyl)-3,4-dichlorobenzamide is O=C(NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(benzenesulfonyl)-3,4-dichlorobenzamide?
The InChIKey is TYWATGXEBFMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3S/c14-11-7-6-9(8-12(11)15)13(17)16-20(18,19)10-4-2-1-3-5-10/h1-8H,(H,16,17).
What are the key properties of N-(benzenesulfonyl)-3,4-dichlorobenzamide?
N-(benzenesulfonyl)-3,4-dichlorobenzamide has a molecular weight of 330.19 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 47108670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).