3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol

C9H19F3N2O3S — CID 106115949

IUPAC3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-2-3-8(4-5-15)6-13-18(16,17)14-7-9(10,11)12/h8,13-15H,2-7H2,1H3
InChIKeyZYANQFLUAZWQRN-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.77
Rot. Bonds9

About 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol

3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol (PubChem CID 106115949) has the molecular formula C9H19F3N2O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol
PubChem CID106115949
Molecular FormulaC9H19F3N2O3S
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O3S/c1-2-3-8(4-5-15)6-13-18(16,17)14-7-9(10,11)12/h8,13-15H,2-7H2,1H3
InChIKeyZYANQFLUAZWQRN-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol (CID 106115949) is 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol is CCCC(CCO)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol?
The InChIKey is ZYANQFLUAZWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O3S/c1-2-3-8(4-5-15)6-13-18(16,17)14-7-9(10,11)12/h8,13-15H,2-7H2,1H3.
What are the key properties of 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol?
3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol has a molecular weight of 292.32 g/mol, XLogP of 0.77, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethylsulfamoylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).