N-(trifluoromethyl)butane-1-sulfonamide

C5H10F3NO2S — CID 88593370

IUPACN-(trifluoromethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4-12(10,11)9-5(6,7)8/h9H,2-4H2,1H3
InChIKeyGAKOMNQPKSIQHP-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.23
Rot. Bonds4

About N-(trifluoromethyl)butane-1-sulfonamide

N-(trifluoromethyl)butane-1-sulfonamide (PubChem CID 88593370) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(trifluoromethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(trifluoromethyl)butane-1-sulfonamide
PubChem CID88593370
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-(trifluoromethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-2-3-4-12(10,11)9-5(6,7)8/h9H,2-4H2,1H3
InChIKeyGAKOMNQPKSIQHP-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)butane-1-sulfonamide?
The IUPAC name of N-(trifluoromethyl)butane-1-sulfonamide (CID 88593370) is N-(trifluoromethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(trifluoromethyl)butane-1-sulfonamide?
The canonical SMILES for N-(trifluoromethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)butane-1-sulfonamide?
The InChIKey is GAKOMNQPKSIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-2-3-4-12(10,11)9-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of N-(trifluoromethyl)butane-1-sulfonamide?
N-(trifluoromethyl)butane-1-sulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)butane-1-sulfonamide is sourced from PubChem (CID 88593370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).