N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide

C13H13Cl2NO2S2 — CID 110440536

IUPACN-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO2S2/c1-13(2,10-6-5-9(14)8-11(10)15)16-20(17,18)12-4-3-7-19-12/h3-8,16H,1-2H3
InChIKeyWUUHWPAYPIUFLL-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.27
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide

N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide (PubChem CID 110440536) has the molecular formula C13H13Cl2NO2S2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide
PubChem CID110440536
Molecular FormulaC13H13Cl2NO2S2
Molecular Weight350.29 g/mol
Exact Mass348.98
IUPAC NameN-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2NO2S2/c1-13(2,10-6-5-9(14)8-11(10)15)16-20(17,18)12-4-3-7-19-12/h3-8,16H,1-2H3
InChIKeyWUUHWPAYPIUFLL-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide 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-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide (CID 110440536) is N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide is CC(C)(NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide?
The InChIKey is WUUHWPAYPIUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2S2/c1-13(2,10-6-5-9(14)8-11(10)15)16-20(17,18)12-4-3-7-19-12/h3-8,16H,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide?
N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 350.29 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 110440536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).