(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide

C17H22ClF3N2O4S — CID 56834047

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c18-13-3-5-14(6-4-13)28(25,26)23(10-12-2-1-9-27-11-12)15(16(22)24)7-8-17(19,20)21/h3-6,12,15H,1-2,7-11H2,(H2,22,24)/t12-,15-/m1/s1
InChIKeyLPLQFQASZSTOMW-IUODEOHRSA-N
MW442.89 g/mol
LogP2.95
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 56834047) has the molecular formula C17H22ClF3N2O4S and a molecular weight of 442.89 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID56834047
Molecular FormulaC17H22ClF3N2O4S
Molecular Weight442.89 g/mol
Exact Mass442.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c18-13-3-5-14(6-4-13)28(25,26)23(10-12-2-1-9-27-11-12)15(16(22)24)7-8-17(19,20)21/h3-6,12,15H,1-2,7-11H2,(H2,22,24)/t12-,15-/m1/s1
InChIKeyLPLQFQASZSTOMW-IUODEOHRSA-N
XLogP2.95
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]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-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide (CID 56834047) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is LPLQFQASZSTOMW-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22ClF3N2O4S/c18-13-3-5-14(6-4-13)28(25,26)23(10-12-2-1-9-27-11-12)15(16(22)24)7-8-17(19,20)21/h3-6,12,15H,1-2,7-11H2,(H2,22,24)/t12-,15-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 442.89 g/mol, XLogP of 2.95, 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-[[(3R)-oxan-3-yl]methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56834047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).