4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol

C10H14FNO3S — CID 117370179

IUPAC4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)ccc(CCCN)c1F
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)10-8(13)5-4-7(9(10)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyWYQBDUTUWPJEPB-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.83
Rot. Bonds4

About 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol

4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol (PubChem CID 117370179) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol
PubChem CID117370179
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)ccc(CCCN)c1F
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)10-8(13)5-4-7(9(10)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3
InChIKeyWYQBDUTUWPJEPB-UHFFFAOYSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol 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

4-(2-amino-2-methylpropyl)-3-fluoro-2-methylsulfonylphenol
CID 117407301
4-(3-aminopropyl)-3-fluorobenzene-1,2-diol
CID 117280039
3-(2-fluoro-3-methylsulfonylphenyl)propan-1-amine
CID 117334339
3-(2-fluoro-4-methylsulfonylphenyl)propan-1-amine
CID 84794355
6-(2-aminoethyl)-2-fluoro-3-methylsulfonylphenol
CID 117337806
3-fluoro-2-methylsulfonyl-4-(piperazin-1-ylmethyl)phenol
CID 117465784
4-(1-aminoethyl)-3-fluoro-2-methylsulfonylphenol
CID 117337810
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375869
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
3-fluoro-2-methylsulfonyl-4-(piperidin-2-ylmethyl)phenol
CID 117463664
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)butanoic acid
CID 117468920
2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol?
The IUPAC name of 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol (CID 117370179) is 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol.
What is the SMILES notation for 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol?
The canonical SMILES for 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)ccc(CCCN)c1F.
What is the InChIKey of 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol?
The InChIKey is WYQBDUTUWPJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-16(14,15)10-8(13)5-4-7(9(10)11)3-2-6-12/h4-5,13H,2-3,6,12H2,1H3.
What are the key properties of 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol?
4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol has a molecular weight of 247.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-3-fluoro-2-methylsulfonylphenol is sourced from PubChem (CID 117370179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).