2-(3-fluorophenyl)propane-1-sulfonamide

C9H12FNO2S — CID 115030022

IUPAC2-(3-fluorophenyl)propane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C9H12FNO2S/c1-7(6-14(11,12)13)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3,(H2,11,12,13)
InChIKeyGECLCEKRULIFPA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.22
Rot. Bonds3

About 2-(3-fluorophenyl)propane-1-sulfonamide

2-(3-fluorophenyl)propane-1-sulfonamide (PubChem CID 115030022) has the molecular formula C9H12FNO2S and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)propane-1-sulfonamide
PubChem CID115030022
Molecular FormulaC9H12FNO2S
Molecular Weight217.27 g/mol
Exact Mass217.06
IUPAC Name2-(3-fluorophenyl)propane-1-sulfonamide
SMILESCC(CS(N)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C9H12FNO2S/c1-7(6-14(11,12)13)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3,(H2,11,12,13)
InChIKeyGECLCEKRULIFPA-UHFFFAOYSA-N
XLogP1.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of 2-(3-fluorophenyl)propane-1-sulfonamide (CID 115030022) is 2-(3-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 2-(3-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for 2-(3-fluorophenyl)propane-1-sulfonamide is CC(CS(N)(=O)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)propane-1-sulfonamide?
The InChIKey is GECLCEKRULIFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7(6-14(11,12)13)8-3-2-4-9(10)5-8/h2-5,7H,6H2,1H3,(H2,11,12,13).
What are the key properties of 2-(3-fluorophenyl)propane-1-sulfonamide?
2-(3-fluorophenyl)propane-1-sulfonamide has a molecular weight of 217.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 115030022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).