2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide

C15H10ClF4NO3S — CID 1269757

IUPAC2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO3S/c16-12-7-9(15(18,19)20)1-6-13(12)25(23,24)8-14(22)21-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,21,22)
InChIKeyBIHBITNJIWWIRO-UHFFFAOYSA-N
MW395.76 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide

2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide (PubChem CID 1269757) has the molecular formula C15H10ClF4NO3S and a molecular weight of 395.76 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide
PubChem CID1269757
Molecular FormulaC15H10ClF4NO3S
Molecular Weight395.76 g/mol
Exact Mass395.00
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClF4NO3S/c16-12-7-9(15(18,19)20)1-6-13(12)25(23,24)8-14(22)21-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,21,22)
InChIKeyBIHBITNJIWWIRO-UHFFFAOYSA-N
XLogP3.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.76
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide 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-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfonyl}acetamide
CID 1488185
N-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 1488228
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N1-(2,3,4-trifluorophenyl)-2-[(4-methylphenyl)sulfonyl]acetamide
CID 2800907
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819361
3-[(4-chlorophenyl)sulfonyl]-N-(4-fluorophenyl)propanamide
CID 3550070
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 15989015

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide (CID 1269757) is 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide is O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide?
The InChIKey is BIHBITNJIWWIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO3S/c16-12-7-9(15(18,19)20)1-6-13(12)25(23,24)8-14(22)21-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,21,22).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide?
2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide has a molecular weight of 395.76 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1269757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).