3-fluoro-2-methylpropane-1-sulfonamide

C4H10FNO2S — CID 126717809

IUPAC3-fluoro-2-methylpropane-1-sulfonamide
SMILESCC(CF)CS(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyIFDHTLPYPJQBLY-UHFFFAOYSA-N
MW155.19 g/mol
LogP-0.12
Rot. Bonds3

About 3-fluoro-2-methylpropane-1-sulfonamide

3-fluoro-2-methylpropane-1-sulfonamide (PubChem CID 126717809) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 3-fluoro-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-2-methylpropane-1-sulfonamide
PubChem CID126717809
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name3-fluoro-2-methylpropane-1-sulfonamide
SMILESCC(CF)CS(N)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyIFDHTLPYPJQBLY-UHFFFAOYSA-N
XLogP-0.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-2-methylpropane-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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-fluoro-2-methylpropane-1-sulfonamide (CID 126717809) is 3-fluoro-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-fluoro-2-methylpropane-1-sulfonamide is CC(CF)CS(N)(=O)=O.
What is the InChIKey of 3-fluoro-2-methylpropane-1-sulfonamide?
The InChIKey is IFDHTLPYPJQBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-4(2-5)3-9(6,7)8/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 3-fluoro-2-methylpropane-1-sulfonamide?
3-fluoro-2-methylpropane-1-sulfonamide has a molecular weight of 155.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 126717809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).