N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide

C13H24F5NO2S — CID 18735743

IUPACN-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2S/c1-10(2)8-19(7-6-11(3,4)5)22(20,21)9-12(14,15)13(16,17)18/h10H,6-9H2,1-5H3
InChIKeyAXXHNDAREXGSHI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.91
Rot. Bonds7

About N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide

N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 18735743) has the molecular formula C13H24F5NO2S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID18735743
Molecular FormulaC13H24F5NO2S
Molecular Weight353.40 g/mol
Exact Mass353.14
IUPAC NameN-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5NO2S/c1-10(2)8-19(7-6-11(3,4)5)22(20,21)9-12(14,15)13(16,17)18/h10H,6-9H2,1-5H3
InChIKeyAXXHNDAREXGSHI-UHFFFAOYSA-N
XLogP3.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
CID 18735449
N-(3,3-dimethylbutyl)-2-(2,2,3,3,3-pentafluoropropoxy)-N-propylethanesulfonamide
CID 18735740
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
CID 18735741
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735744
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propylpropane-1-sulfonamide
CID 18735745
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735753
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735754
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(3,3-dimethylbutyl)-3,3-difluoro-N-propylpropane-1-sulfonamide
CID 18735756
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
CID 18735762
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 18735763
N-(3,3-dimethylbutyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)ethanesulfonamide
CID 18735819

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide (CID 18735743) is N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CN(CCC(C)(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is AXXHNDAREXGSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F5NO2S/c1-10(2)8-19(7-6-11(3,4)5)22(20,21)9-12(14,15)13(16,17)18/h10H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide?
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 18735743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).