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

C21H17F3N2O4S — CID 166987972

IUPAC2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O4S/c22-21(23,24)15-6-8-16(9-7-15)26(14-20(25)27)31(28,29)19-12-10-18(11-13-19)30-17-4-2-1-3-5-17/h1-13H,14H2,(H2,25,27)
InChIKeyHYCGJXIVKUJDLF-UHFFFAOYSA-N
MW450.44 g/mol
LogP4.18
Rot. Bonds7

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

2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide (PubChem CID 166987972) has the molecular formula C21H17F3N2O4S and a molecular weight of 450.44 g/mol. Its IUPAC name is 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
PubChem CID166987972
Molecular FormulaC21H17F3N2O4S
Molecular Weight450.44 g/mol
Exact Mass450.09
IUPAC Name2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
SMILESNC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17F3N2O4S/c22-21(23,24)15-6-8-16(9-7-15)26(14-20(25)27)31(28,29)19-12-10-18(11-13-19)30-17-4-2-1-3-5-17/h1-13H,14H2,(H2,25,27)
InChIKeyHYCGJXIVKUJDLF-UHFFFAOYSA-N
XLogP4.18
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 163543244
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(4-phenoxyphenyl)benzenesulfonamide
CID 1262526
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
5-[ethyl-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236555
methyl 2-[N-(4-methylsulfanylphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetate
CID 100519172
2-[N-(4-acetamidophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 50889320
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571
2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
CID 1486690
1-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2976213
N,N-diethyl-2-(4-methyl-N-[4-(trifluoromethyl)phenyl]sulfonylanilino)acetamide
CID 142673074

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide (CID 166987972) is 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide is NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
The InChIKey is HYCGJXIVKUJDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4S/c22-21(23,24)15-6-8-16(9-7-15)26(14-20(25)27)31(28,29)19-12-10-18(11-13-19)30-17-4-2-1-3-5-17/h1-13H,14H2,(H2,25,27).
What are the key properties of 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide?
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide has a molecular weight of 450.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 166987972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).