4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

C7H15F3N2O3S — CID 114809762

IUPAC4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCC(O)CC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(3-6(2)13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3
InChIKeyAIPVTGRERBTOQF-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.13
Rot. Bonds6

About 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol

4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (PubChem CID 114809762) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
PubChem CID114809762
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol
SMILESCC(O)CC(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-5(3-6(2)13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3
InChIKeyAIPVTGRERBTOQF-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol (CID 114809762) is 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is CC(O)CC(C)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
The InChIKey is AIPVTGRERBTOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-5(3-6(2)13)12-16(14,15)11-4-7(8,9)10/h5-6,11-13H,3-4H2,1-2H3.
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol?
4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol has a molecular weight of 264.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 114809762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).