2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide

C15H13Cl2NO3S — CID 1489719

IUPAC2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO3S/c1-2-22(20,21)12-9-8-11(13(16)14(12)17)15(19)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHVURYDBHOWUOQU-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.04
Rot. Bonds4

About 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide

2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide (PubChem CID 1489719) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide
PubChem CID1489719
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C15H13Cl2NO3S/c1-2-22(20,21)12-9-8-11(13(16)14(12)17)15(19)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19)
InChIKeyHVURYDBHOWUOQU-UHFFFAOYSA-N
XLogP4.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide 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 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide?
The IUPAC name of 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide (CID 1489719) is 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide?
The canonical SMILES for 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide?
The InChIKey is HVURYDBHOWUOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-2-22(20,21)12-9-8-11(13(16)14(12)17)15(19)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide?
2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide has a molecular weight of 358.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-ethylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 1489719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).