4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide

C18H17Cl2F3N2O3S — CID 21367523

IUPAC4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-12(19)8-9-14(16)20)10-4-7-17(26)24-15-6-3-2-5-13(15)18(21,22)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,26)
InChIKeyJAGADVXZKJEYFE-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.20
Rot. Bonds7

About 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide

4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 21367523) has the molecular formula C18H17Cl2F3N2O3S and a molecular weight of 469.31 g/mol. Its IUPAC name is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID21367523
Molecular FormulaC18H17Cl2F3N2O3S
Molecular Weight469.31 g/mol
Exact Mass468.03
IUPAC Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-12(19)8-9-14(16)20)10-4-7-17(26)24-15-6-3-2-5-13(15)18(21,22)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,26)
InChIKeyJAGADVXZKJEYFE-UHFFFAOYSA-N
XLogP5.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.31
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
4-[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100505035
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
CID 43909078
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
ethyl 4-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 21368330
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 21367523) is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is JAGADVXZKJEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-12(19)8-9-14(16)20)10-4-7-17(26)24-15-6-3-2-5-13(15)18(21,22)23/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,24,26).
What are the key properties of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide?
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 469.31 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 21367523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).