N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

C10H19BrF3NO2S — CID 114178035

IUPACN-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)C(CCBr)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19BrF3NO2S/c1-8(2)9(4-6-11)15-18(16,17)7-3-5-10(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyAWDGMKRZMRNWGS-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.06
Rot. Bonds8

About N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114178035) has the molecular formula C10H19BrF3NO2S and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114178035
Molecular FormulaC10H19BrF3NO2S
Molecular Weight354.23 g/mol
Exact Mass353.03
IUPAC NameN-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESCC(C)C(CCBr)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19BrF3NO2S/c1-8(2)9(4-6-11)15-18(16,17)7-3-5-10(12,13)14/h8-9,15H,3-7H2,1-2H3
InChIKeyAWDGMKRZMRNWGS-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.06
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

3-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)butane-1-sulfonamide
CID 137470800
N-(3-bromo-2-methylpropyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058255
N-(1-bromobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058402
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058543
N-(4-bromo-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058544
N-(1-bromo-3-methylbutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058671
N-(5-bromopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058815
N-(4-bromo-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058816
N-(1-bromo-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83060156
N-(4-bromobutan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83180717
N-(4-bromopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 104111139
N-(2-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106288626

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 114178035) is N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is CC(C)C(CCBr)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is AWDGMKRZMRNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF3NO2S/c1-8(2)9(4-6-11)15-18(16,17)7-3-5-10(12,13)14/h8-9,15H,3-7H2,1-2H3.
What are the key properties of N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 354.23 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114178035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).