N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H21F3N2O2S — CID 83059873

IUPACN-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-2-9(4-6-14)8-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyURSVXVZZKOWIRR-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.62
Rot. Bonds9

About N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059873) has the molecular formula C10H21F3N2O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059873
Molecular FormulaC10H21F3N2O2S
Molecular Weight290.35 g/mol
Exact Mass290.13
IUPAC NameN-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CCN)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O2S/c1-2-9(4-6-14)8-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyURSVXVZZKOWIRR-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059873) is N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(CCN)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is URSVXVZZKOWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S/c1-2-9(4-6-14)8-15-18(16,17)7-3-5-10(11,12)13/h9,15H,2-8,14H2,1H3.
What are the key properties of N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).