4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H11ClF3NO3S — CID 3712416

IUPAC4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11ClF3NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3
InChIKeyWIUCRDUXPKFHQR-UHFFFAOYSA-N
MW377.77 g/mol
LogP4.36
Rot. Bonds4

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

4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3712416) has the molecular formula C15H11ClF3NO3S and a molecular weight of 377.77 g/mol. Its IUPAC name is 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3712416
Molecular FormulaC15H11ClF3NO3S
Molecular Weight377.77 g/mol
Exact Mass377.01
IUPAC Name4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H11ClF3NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3
InChIKeyWIUCRDUXPKFHQR-UHFFFAOYSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide 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-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892646
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-iodo-4-methylbenzamide
CID 100525126
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 43886552
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 21367107
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3712416) is 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is WIUCRDUXPKFHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3S/c1-9(21)10-2-5-12(6-3-10)24(22,23)20-11-4-7-14(16)13(8-11)15(17,18)19/h2-8,20H,1H3.
What are the key properties of 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 377.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).