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

C13H26F3NO2S — CID 18735753

IUPACN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-11(2)10-17(8-6-12(3,4)5)20(18,19)9-7-13(14,15)16/h11H,6-10H2,1-5H3
InChIKeyNQRJGPXHLOYFQD-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.66
Rot. Bonds7

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

N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide (PubChem CID 18735753) has the molecular formula C13H26F3NO2S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
PubChem CID18735753
Molecular FormulaC13H26F3NO2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC NameN-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide
SMILESCC(C)CN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-11(2)10-17(8-6-12(3,4)5)20(18,19)9-7-13(14,15)16/h11H,6-10H2,1-5H3
InChIKeyNQRJGPXHLOYFQD-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-(2-methylpropyl)ethanesulfonamide
CID 18735449
2-(2,2-difluoropropoxy)-N-(3,3-dimethylbutyl)-N-propylethanesulfonamide
CID 18735451
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
CID 18735741
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propane-1-sulfonamide
CID 18735743
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-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)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide (CID 18735753) is N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide is CC(C)CN(CCC(C)(C)C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
The InChIKey is NQRJGPXHLOYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2S/c1-11(2)10-17(8-6-12(3,4)5)20(18,19)9-7-13(14,15)16/h11H,6-10H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide?
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of 3.66, 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)-3,3,3-trifluoro-N-(2-methylpropyl)propane-1-sulfonamide is sourced from PubChem (CID 18735753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).