2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide

C21H16ClF3N2O3S — CID 1247140

IUPAC2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H16ClF3N2O3S/c22-16-7-5-8-17(13-16)26-20(28)14-27(31(29,30)19-10-2-1-3-11-19)18-9-4-6-15(12-18)21(23,24)25/h1-13H,14H2,(H,26,28)
InChIKeyHUBCOMIQESUITJ-UHFFFAOYSA-N
MW468.88 g/mol
LogP5.19
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide

2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide (PubChem CID 1247140) has the molecular formula C21H16ClF3N2O3S and a molecular weight of 468.88 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide
PubChem CID1247140
Molecular FormulaC21H16ClF3N2O3S
Molecular Weight468.88 g/mol
Exact Mass468.05
IUPAC Name2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide
SMILESO=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H16ClF3N2O3S/c22-16-7-5-8-17(13-16)26-20(28)14-27(31(29,30)19-10-2-1-3-11-19)18-9-4-6-15(12-18)21(23,24)25/h1-13H,14H2,(H,26,28)
InChIKeyHUBCOMIQESUITJ-UHFFFAOYSA-N
XLogP5.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
2-{4-[(4-fluorophenyl)sulfonyl]piperazin-1-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3244408
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(2R)-1-[3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]piperazin-2-one
CID 44247976
(2R)-4-[3-Chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)phenyl]piperazin-2-one
CID 44248337
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)benzenesulfonamido]acetamide
CID 1141975
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide (CID 1247140) is 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide is O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide?
The InChIKey is HUBCOMIQESUITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3S/c22-16-7-5-8-17(13-16)26-20(28)14-27(31(29,30)19-10-2-1-3-11-19)18-9-4-6-15(12-18)21(23,24)25/h1-13H,14H2,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide has a molecular weight of 468.88 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 1247140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).