1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol

C10H14FNO3S — CID 79022394

IUPAC1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-12-6-9(13)7-16(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7H2,1H3
InChIKeyFDKIKXSYLVNQGM-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.18
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol

1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol (PubChem CID 79022394) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol
PubChem CID79022394
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-12-6-9(13)7-16(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7H2,1H3
InChIKeyFDKIKXSYLVNQGM-UHFFFAOYSA-N
XLogP0.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol 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 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol (CID 79022394) is 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol is CNCC(O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol?
The InChIKey is FDKIKXSYLVNQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-12-6-9(13)7-16(14,15)10-4-2-8(11)3-5-10/h2-5,9,12-13H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol?
1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol has a molecular weight of 247.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 79022394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).