1,2,4-trifluorobutane-1-sulfonamide

C4H8F3NO2S — CID 134247487

IUPAC1,2,4-trifluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)C(F)CCF
InChIInChI=1S/C4H8F3NO2S/c5-2-1-3(6)4(7)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyDKDLSGBKIVPWTD-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.27
Rot. Bonds4

About 1,2,4-trifluorobutane-1-sulfonamide

1,2,4-trifluorobutane-1-sulfonamide (PubChem CID 134247487) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 1,2,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound Name1,2,4-trifluorobutane-1-sulfonamide
PubChem CID134247487
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name1,2,4-trifluorobutane-1-sulfonamide
SMILESNS(=O)(=O)C(F)C(F)CCF
InChIInChI=1S/C4H8F3NO2S/c5-2-1-3(6)4(7)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyDKDLSGBKIVPWTD-UHFFFAOYSA-N
XLogP0.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Butanesulfonamide
CID 18460
2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
Butanesulfonyl fluoride, 4-fluoro-
CID 12616
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
Butane-2-sulfonamide
CID 20482438
4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
2,2-Difluoroethane-1-sulfonamide
CID 50989787
3-Fluoro-1-propanesulfonamide
CID 53404000
4-Fluorobutane-1-sulfonamide
CID 53964049
5-Fluoropentane-1-sulfonamide
CID 90989561
3,3-Difluorocyclobutane-1-sulfonamide
CID 126756816
Fluorobutane sulfonamide
CID 87704648

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluorobutane-1-sulfonamide?
The IUPAC name of 1,2,4-trifluorobutane-1-sulfonamide (CID 134247487) is 1,2,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for 1,2,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for 1,2,4-trifluorobutane-1-sulfonamide is NS(=O)(=O)C(F)C(F)CCF.
What is the InChIKey of 1,2,4-trifluorobutane-1-sulfonamide?
The InChIKey is DKDLSGBKIVPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c5-2-1-3(6)4(7)11(8,9)10/h3-4H,1-2H2,(H2,8,9,10).
What are the key properties of 1,2,4-trifluorobutane-1-sulfonamide?
1,2,4-trifluorobutane-1-sulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 134247487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).