N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H21BrF3NO2S — CID 106288626

IUPACN-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21BrF3NO2S/c1-3-9(4-2)10(12)8-16-19(17,18)7-5-6-11(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyZHRXMYJOCGZDGZ-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.45
Rot. Bonds9

About N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106288626) has the molecular formula C11H21BrF3NO2S and a molecular weight of 368.26 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106288626
Molecular FormulaC11H21BrF3NO2S
Molecular Weight368.26 g/mol
Exact Mass367.04
IUPAC NameN-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCC(CC)C(Br)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H21BrF3NO2S/c1-3-9(4-2)10(12)8-16-19(17,18)7-5-6-11(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyZHRXMYJOCGZDGZ-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
N-(3-bromobutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058117
N-(3-bromo-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058255
N-(4-bromo-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058544
N-(2-bromo-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058670
N-(1-bromo-3-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058671
N-(4-bromo-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058816
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-(1-bromo-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83060156
N-(4-bromopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104111139
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 106288626) is N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is CCC(CC)C(Br)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZHRXMYJOCGZDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrF3NO2S/c1-3-9(4-2)10(12)8-16-19(17,18)7-5-6-11(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 368.26 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106288626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).