N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide

C15H13ClF3NO2S — CID 3775544

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3NO2S/c1-2-10-3-6-12(7-4-10)23(21,22)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyMPZREXGFBYQOCJ-UHFFFAOYSA-N
MW363.79 g/mol
LogP4.72
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide (PubChem CID 3775544) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
PubChem CID3775544
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13ClF3NO2S/c1-2-10-3-6-12(7-4-10)23(21,22)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyMPZREXGFBYQOCJ-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide 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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-(3,4-dichlorophenyl)-4-[3-(4-ethylphenyl)-2-sulfanylidenepropyl]benzenesulfonamide
CID 162264175
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
CID 3374845
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43886552

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide (CID 3775544) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide?
The InChIKey is MPZREXGFBYQOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c1-2-10-3-6-12(7-4-10)23(21,22)20-11-5-8-14(16)13(9-11)15(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide has a molecular weight of 363.79 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 3775544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).