N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

C13H26F3NO2S — CID 18735763

IUPACN-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-5-9-17(10-8-12(2,3)4)20(18,19)11-6-7-13(14,15)16/h5-11H2,1-4H3
InChIKeyRKXQCWIJYGVWAL-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.81
Rot. Bonds8

About N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide

N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 18735763) has the molecular formula C13H26F3NO2S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID18735763
Molecular FormulaC13H26F3NO2S
Molecular Weight317.42 g/mol
Exact Mass317.16
IUPAC NameN-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C13H26F3NO2S/c1-5-9-17(10-8-12(2,3)4)20(18,19)11-6-7-13(14,15)16/h5-11H2,1-4H3
InChIKeyRKXQCWIJYGVWAL-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3,3-dimethylbutane-1-sulfonamide
CID 11435984
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-(2,2,3,3,3-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-(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-(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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 18735763) is N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is RKXQCWIJYGVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2S/c1-5-9-17(10-8-12(2,3)4)20(18,19)11-6-7-13(14,15)16/h5-11H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 18735763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).