3-(4-fluorophenyl)sulfonylpropanamide

C9H10FNO3S — CID 47102594

IUPAC3-(4-fluorophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyKQZMEXBBLOSZNK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.47
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonylpropanamide

3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 47102594) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID47102594
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name3-(4-fluorophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyKQZMEXBBLOSZNK-UHFFFAOYSA-N
XLogP0.47
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonylpropanamide (CID 47102594) is 3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonylpropanamide is NC(=O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is KQZMEXBBLOSZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 3-(4-fluorophenyl)sulfonylpropanamide?
3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 231.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 47102594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).