3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide

C14H13Cl2NO2S — CID 2234505

IUPAC3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2H2,1H3
InChIKeyIUVLHWSMMLIKSW-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.21
Rot. Bonds4

About 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide

3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 2234505) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID2234505
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2NO2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2H2,1H3
InChIKeyIUVLHWSMMLIKSW-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide 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

3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50889582
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-N-phenyl-3H-benzimidazole-5-sulfonamide
CID 110760013

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide (CID 2234505) is 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is IUVLHWSMMLIKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-2-17(11-6-4-3-5-7-11)20(18,19)12-8-9-13(15)14(16)10-12/h3-10H,2H2,1H3.
What are the key properties of 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide has a molecular weight of 330.24 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 2234505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).