N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

C12H24F3NO2S — CID 89281471

IUPACN-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCCCCN(CC(C)C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-4-5-8-16(10-11(2)3)19(17,18)9-6-7-12(13,14)15/h11H,4-10H2,1-3H3
InChIKeyMTIVZYLHVCVCNB-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.42
Rot. Bonds9

About N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide

N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (PubChem CID 89281471) has the molecular formula C12H24F3NO2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
PubChem CID89281471
Molecular FormulaC12H24F3NO2S
Molecular Weight303.39 g/mol
Exact Mass303.15
IUPAC NameN-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide
SMILESCCCCN(CC(C)C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H24F3NO2S/c1-4-5-8-16(10-11(2)3)19(17,18)9-6-7-12(13,14)15/h11H,4-10H2,1-3H3
InChIKeyMTIVZYLHVCVCNB-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The IUPAC name of N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide (CID 89281471) is N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide.
What is the SMILES notation for N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The canonical SMILES for N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is CCCCN(CC(C)C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
The InChIKey is MTIVZYLHVCVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2S/c1-4-5-8-16(10-11(2)3)19(17,18)9-6-7-12(13,14)15/h11H,4-10H2,1-3H3.
What are the key properties of N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide?
N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,4,4-trifluoro-N-(2-methylpropyl)butane-1-sulfonamide is sourced from PubChem (CID 89281471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).