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

C19H17ClF3N3O3S — CID 70686452

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESN#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h1-8,17H,9-10,12H2,(H2,25,27)/t17-/m1/s1
InChIKeyMXKAHKFJMXKLPE-QGZVFWFLSA-N
MW459.88 g/mol
LogP3.60
Rot. Bonds8

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

(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 70686452) has the molecular formula C19H17ClF3N3O3S and a molecular weight of 459.88 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID70686452
Molecular FormulaC19H17ClF3N3O3S
Molecular Weight459.88 g/mol
Exact Mass459.06
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide
SMILESN#Cc1ccc(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h1-8,17H,9-10,12H2,(H2,25,27)/t17-/m1/s1
InChIKeyMXKAHKFJMXKLPE-QGZVFWFLSA-N
XLogP3.60
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide (CID 70686452) is (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)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)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is MXKAHKFJMXKLPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17ClF3N3O3S/c20-15-5-7-16(8-6-15)30(28,29)26(12-14-3-1-13(11-24)2-4-14)17(18(25)27)9-10-19(21,22)23/h1-8,17H,9-10,12H2,(H2,25,27)/t17-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 459.88 g/mol, XLogP of 3.60, 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-cyanophenyl)methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 70686452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).