2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide

C14H13Cl2NO2S — CID 668802

IUPAC2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-10-11(15)8-9-13(14)16/h3-10H,2H2,1H3
InChIKeyBZZBSAZUKYYDDG-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.21
Rot. Bonds4

About 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide

2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide (PubChem CID 668802) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
PubChem CID668802
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-10-11(15)8-9-13(14)16/h3-10H,2H2,1H3
InChIKeyBZZBSAZUKYYDDG-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 2,5-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

4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 668790
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 788793
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
3-Amino-4-chloro-N-ethyl-N-phenylbenzenesulfonamide
CID 3774261
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728
2,5-dichloro-N-ethyl-N-(2-methylphenyl)benzenesulfonamide
CID 796394
N-(4-{[(2,5-dichlorophenyl)sulfonyl]amino}phenyl)-N-methylacetamide
CID 1214257
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 2489123
2,3-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 2696827
N-allyl-4-chloro-N-phenylbenzenesulfonamide
CID 2768894
3,5-dichloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 3868087
2,5-dichloro-N-ethyl-N-(4-fluorophenyl)benzenesulfonamide
CID 24465010

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide (CID 668802) is 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
The InChIKey is BZZBSAZUKYYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c1-2-17(12-6-4-3-5-7-12)20(18,19)14-10-11(15)8-9-13(14)16/h3-10H,2H2,1H3.
What are the key properties of 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide?
2,5-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 2,5-dichloro-N-ethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 668802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).