(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide

C15H18ClF3N2O4S — CID 56833940

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1COC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O4S/c16-11-1-3-12(4-2-11)26(23,24)21(7-10-8-25-9-10)13(14(20)22)5-6-15(17,18)19/h1-4,10,13H,5-9H2,(H2,20,22)/t13-/m1/s1
InChIKeyHSYVIRSKJLZWQT-CYBMUJFWSA-N
MW414.83 g/mol
LogP2.17
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide (PubChem CID 56833940) has the molecular formula C15H18ClF3N2O4S and a molecular weight of 414.83 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide
PubChem CID56833940
Molecular FormulaC15H18ClF3N2O4S
Molecular Weight414.83 g/mol
Exact Mass414.06
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(CC1COC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClF3N2O4S/c16-11-1-3-12(4-2-11)26(23,24)21(7-10-8-25-9-10)13(14(20)22)5-6-15(17,18)19/h1-4,10,13H,5-9H2,(H2,20,22)/t13-/m1/s1
InChIKeyHSYVIRSKJLZWQT-CYBMUJFWSA-N
XLogP2.17
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 52.17
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-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide (CID 56833940) is (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide is NC(=O)[C@@H](CCC(F)(F)F)N(CC1COC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide?
The InChIKey is HSYVIRSKJLZWQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18ClF3N2O4S/c16-11-1-3-12(4-2-11)26(23,24)21(7-10-8-25-9-10)13(14(20)22)5-6-15(17,18)19/h1-4,10,13H,5-9H2,(H2,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide has a molecular weight of 414.83 g/mol, XLogP of 2.17, 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-(oxetan-3-ylmethyl)amino]-5,5,5-trifluoropentanamide is sourced from PubChem (CID 56833940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).