4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C14H10Cl2F3NO3S2 — CID 57378320

IUPAC4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3NO3S2/c1-24(21)13-5-2-8(15)6-12(13)20-25(22,23)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
InChIKeyCDBHRUIHQPDCQT-UHFFFAOYSA-N
MW432.27 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 57378320) has the molecular formula C14H10Cl2F3NO3S2 and a molecular weight of 432.27 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID57378320
Molecular FormulaC14H10Cl2F3NO3S2
Molecular Weight432.27 g/mol
Exact Mass430.94
IUPAC Name4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H10Cl2F3NO3S2/c1-24(21)13-5-2-8(15)6-12(13)20-25(22,23)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
InChIKeyCDBHRUIHQPDCQT-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide 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 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 57378320) is 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CDBHRUIHQPDCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO3S2/c1-24(21)13-5-2-8(15)6-12(13)20-25(22,23)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 432.27 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 57378320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).