2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

C17H16ClF3N2O4S — CID 133168887

IUPAC2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H16ClF3N2O4S/c1-11(23(28(2,25)26)14-5-3-4-12(18)10-14)16(24)22-13-6-8-15(9-7-13)27-17(19,20)21/h3-11H,1-2H3,(H,22,24)
InChIKeyRLINMVZNQQWBIN-UHFFFAOYSA-N
MW436.84 g/mol
LogP4.03
Rot. Bonds6

About 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide

2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 133168887) has the molecular formula C17H16ClF3N2O4S and a molecular weight of 436.84 g/mol. Its IUPAC name is 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID133168887
Molecular FormulaC17H16ClF3N2O4S
Molecular Weight436.84 g/mol
Exact Mass436.05
IUPAC Name2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C17H16ClF3N2O4S/c1-11(23(28(2,25)26)14-5-3-4-12(18)10-14)16(24)22-13-6-8-15(9-7-13)27-17(19,20)21/h3-11H,1-2H3,(H,22,24)
InChIKeyRLINMVZNQQWBIN-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166605
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125072382
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125075043
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166604
2-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
ethyl 2-chloro-5-[[(2S)-2-(3-chloro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99951414
2-(3-chloro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46763572
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124561243
(2S)-N-(4-chlorophenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1311402
(2R)-N-(3-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1317717
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 133168887) is 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is RLINMVZNQQWBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O4S/c1-11(23(28(2,25)26)14-5-3-4-12(18)10-14)16(24)22-13-6-8-15(9-7-13)27-17(19,20)21/h3-11H,1-2H3,(H,22,24).
What are the key properties of 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 436.84 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 133168887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).