2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

C17H15ClF3NO3S — CID 44569508

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyCSRCTMMPOWLLFA-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.55
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 44569508) has the molecular formula C17H15ClF3NO3S and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID44569508
Molecular FormulaC17H15ClF3NO3S
Molecular Weight405.83 g/mol
Exact Mass405.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKeyCSRCTMMPOWLLFA-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide 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
(Z)-2-(4-chlorophenyl)sulfonyl-3-methylsulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
CID 2819140
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
N-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 716758
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
2-[(4-chlorophenyl)thio]-N-(4-{[(2,4-dimethylphenyl)amino]sulfonyl}phenyl)acetamide
CID 1312948
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfonyl}acetamide
CID 1488185
N-(2,4-dichlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 1488228
2-[(4-chlorophenyl)thio]-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]propanamide
CID 2910654
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 15989036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 44569508) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CSRCTMMPOWLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3S/c1-16(2,26(24,25)14-9-5-12(18)6-10-14)15(23)22-13-7-3-11(4-8-13)17(19,20)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 405.83 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 2-(4-chlorophenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 44569508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).