2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C9H17F3N2O4S — CID 103755834

IUPAC2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-3-4-19(17,18)14-6(2)8(16)13-5-7(15)9(10,11)12/h6-7,14-15H,3-5H2,1-2H3,(H,13,16)
InChIKeyYXQJVEKBWQMCHE-UHFFFAOYSA-N
MW306.31 g/mol
LogP-0.26
Rot. Bonds7

About 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103755834) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103755834
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-3-4-19(17,18)14-6(2)8(16)13-5-7(15)9(10,11)12/h6-7,14-15H,3-5H2,1-2H3,(H,13,16)
InChIKeyYXQJVEKBWQMCHE-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103755834) is 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CCCS(=O)(=O)NC(C)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is YXQJVEKBWQMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-3-4-19(17,18)14-6(2)8(16)13-5-7(15)9(10,11)12/h6-7,14-15H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 306.31 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103755834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).