(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide

C17H22ClF3N2O4S — CID 56834146

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c18-13-1-3-14(4-2-13)28(25,26)23(11-12-6-9-27-10-7-12)15(16(22)24)5-8-17(19,20)21/h1-4,12,15H,5-11H2,(H2,22,24)/t15-/m1/s1
InChIKeyNAUFYJYYOZPDMK-OAHLLOKOSA-N
MW442.89 g/mol
LogP2.95
Rot. Bonds8

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

(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide (PubChem CID 56834146) has the molecular formula C17H22ClF3N2O4S and a molecular weight of 442.89 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide
PubChem CID56834146
Molecular FormulaC17H22ClF3N2O4S
Molecular Weight442.89 g/mol
Exact Mass442.09
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClF3N2O4S/c18-13-1-3-14(4-2-13)28(25,26)23(11-12-6-9-27-10-7-12)15(16(22)24)5-8-17(19,20)21/h1-4,12,15H,5-11H2,(H2,22,24)/t15-/m1/s1
InChIKeyNAUFYJYYOZPDMK-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide (CID 56834146) is (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The InChIKey is NAUFYJYYOZPDMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22ClF3N2O4S/c18-13-1-3-14(4-2-13)28(25,26)23(11-12-6-9-27-10-7-12)15(16(22)24)5-8-17(19,20)21/h1-4,12,15H,5-11H2,(H2,22,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(oxan-4-ylmethyl)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-(oxan-4-ylmethyl)amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).