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

C10H22ClF3N2O2S — CID 120875463

IUPACN-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-3-9(14,4-2)8-15-18(16,17)7-5-6-10(11,12)13;/h15H,3-8,14H2,1-2H3;1H
InChIKeyQEIUKYWYZARYKY-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.19
Rot. Bonds8

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

N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (PubChem CID 120875463) has the molecular formula C10H22ClF3N2O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
PubChem CID120875463
Molecular FormulaC10H22ClF3N2O2S
Molecular Weight326.81 g/mol
Exact Mass326.10
IUPAC NameN-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCCC(N)(CC)CNS(=O)(=O)CCCC(F)(F)F.Cl
InChIInChI=1S/C10H21F3N2O2S.ClH/c1-3-9(14,4-2)8-15-18(16,17)7-5-6-10(11,12)13;/h15H,3-8,14H2,1-2H3;1H
InChIKeyQEIUKYWYZARYKY-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (CID 120875463) is N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is CCC(N)(CC)CNS(=O)(=O)CCCC(F)(F)F.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The InChIKey is QEIUKYWYZARYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2S.ClH/c1-3-9(14,4-2)8-15-18(16,17)7-5-6-10(11,12)13;/h15H,3-8,14H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride has a molecular weight of 326.81 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120875463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).