2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

C16H14F3NO3S — CID 3686927

IUPAC2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-11-5-7-14(8-6-11)24(22,23)10-15(21)20-13-4-2-3-12(9-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyOKTNQPRREHSLJA-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3686927) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3686927
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-11-5-7-14(8-6-11)24(22,23)10-15(21)20-13-4-2-3-12(9-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyOKTNQPRREHSLJA-UHFFFAOYSA-N
XLogP3.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4123379
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
(2R)-2-[(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 1378166
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126072956
2-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112999443
2-(3-methylpyridin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4110787
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3686927) is 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OKTNQPRREHSLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-11-5-7-14(8-6-11)24(22,23)10-15(21)20-13-4-2-3-12(9-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3686927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).