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

C16H20ClF3N2O4S — CID 56834151

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClF3N2O4S/c17-11-3-5-13(6-4-11)27(24,25)22(10-12-2-1-9-26-12)14(15(21)23)7-8-16(18,19)20/h3-6,12,14H,1-2,7-10H2,(H2,21,23)/t12-,14-/m1/s1
InChIKeyYAILMRBXCAGDMY-TZMCWYRMSA-N
MW428.86 g/mol
LogP2.71
Rot. Bonds8

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

(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (PubChem CID 56834151) has the molecular formula C16H20ClF3N2O4S and a molecular weight of 428.86 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
PubChem CID56834151
Molecular FormulaC16H20ClF3N2O4S
Molecular Weight428.86 g/mol
Exact Mass428.08
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClF3N2O4S/c17-11-3-5-13(6-4-11)27(24,25)22(10-12-2-1-9-26-12)14(15(21)23)7-8-16(18,19)20/h3-6,12,14H,1-2,7-10H2,(H2,21,23)/t12-,14-/m1/s1
InChIKeyYAILMRBXCAGDMY-TZMCWYRMSA-N
XLogP2.71
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 52.71
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-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide (CID 56834151) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
The InChIKey is YAILMRBXCAGDMY-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H20ClF3N2O4S/c17-11-3-5-13(6-4-11)27(24,25)22(10-12-2-1-9-26-12)14(15(21)23)7-8-16(18,19)20/h3-6,12,14H,1-2,7-10H2,(H2,21,23)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide has a molecular weight of 428.86 g/mol, XLogP of 2.71, 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-[[(2R)-oxolan-2-yl]methyl]amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56834151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).