(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide

C19H16ClF4N3O3S — CID 56953105

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESN#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H16ClF4N3O3S/c20-14-3-5-15(6-4-14)31(29,30)27(17(18(26)28)7-8-19(22,23)24)11-13-2-1-12(10-25)9-16(13)21/h1-6,9,17H,7-8,11H2,(H2,26,28)/t17-/m1/s1
InChIKeyFXSRCLGHCVIZPP-QGZVFWFLSA-N
MW477.87 g/mol
LogP3.74
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 56953105) has the molecular formula C19H16ClF4N3O3S and a molecular weight of 477.87 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID56953105
Molecular FormulaC19H16ClF4N3O3S
Molecular Weight477.87 g/mol
Exact Mass477.05
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESN#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C19H16ClF4N3O3S/c20-14-3-5-15(6-4-14)31(29,30)27(17(18(26)28)7-8-19(22,23)24)11-13-2-1-12(10-25)9-16(13)21/h1-6,9,17H,7-8,11H2,(H2,26,28)/t17-/m1/s1
InChIKeyFXSRCLGHCVIZPP-QGZVFWFLSA-N
XLogP3.74
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide (CID 56953105) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide is N#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is FXSRCLGHCVIZPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16ClF4N3O3S/c20-14-3-5-15(6-4-14)31(29,30)27(17(18(26)28)7-8-19(22,23)24)11-13-2-1-12(10-25)9-16(13)21/h1-6,9,17H,7-8,11H2,(H2,26,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 477.87 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyano-2-fluorophenyl)methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56953105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).