4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide

C18H17Cl2F3N2O3S — CID 21366977

IUPAC4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-13(19)7-8-15(16)20)9-3-6-17(26)24-14-5-2-4-12(10-14)18(21,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,26)
InChIKeyMUXAQMRIGDUHLD-UHFFFAOYSA-N
MW469.31 g/mol
LogP5.20
Rot. Bonds7

About 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide

4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 21366977) 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-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID21366977
Molecular FormulaC18H17Cl2F3N2O3S
Molecular Weight469.31 g/mol
Exact Mass468.03
IUPAC Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-13(19)7-8-15(16)20)9-3-6-17(26)24-14-5-2-4-12(10-14)18(21,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,26)
InChIKeyMUXAQMRIGDUHLD-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-(trifluoromethyl)phenyl]butanamide
CID 21367523
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-methylphenyl)butanamide
CID 53281001
ethyl 4-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 21368330
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
N-(3,4-dimethylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53287006
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 1320398
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
4-tert-butyl-N-[3-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]phenyl]benzamide
CID 99957213
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 21366977) is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide is CS(=O)(=O)N(CCCC(=O)Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MUXAQMRIGDUHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N2O3S/c1-29(27,28)25(16-11-13(19)7-8-15(16)20)9-3-6-17(26)24-14-5-2-4-12(10-14)18(21,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,24,26).
What are the key properties of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide?
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(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-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 21366977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).