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

C16H15F3N2O3S — CID 163543244

IUPAC2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-11-2-8-14(9-3-11)25(23,24)21(10-15(20)22)13-6-4-12(5-7-13)16(17,18)19/h2-9H,10H2,1H3,(H2,20,22)
InChIKeyFCWXARCAJGSFJX-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.69
Rot. Bonds5

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

2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide (PubChem CID 163543244) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
PubChem CID163543244
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-11-2-8-14(9-3-11)25(23,24)21(10-15(20)22)13-6-4-12(5-7-13)16(17,18)19/h2-9H,10H2,1H3,(H2,20,22)
InChIKeyFCWXARCAJGSFJX-UHFFFAOYSA-N
XLogP2.69
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 166987972
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126413999
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126324001
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891255
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 998269
methyl 2-[N-(4-methylsulfanylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetate
CID 100519172
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide (CID 163543244) is 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide is Cc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is FCWXARCAJGSFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-11-2-8-14(9-3-11)25(23,24)21(10-15(20)22)13-6-4-12(5-7-13)16(17,18)19/h2-9H,10H2,1H3,(H2,20,22).
What are the key properties of 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 372.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 163543244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).