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

C9H12FNO3S — CID 115039399

IUPAC3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CC(O)Cc1cccc(F)c1
InChIInChI=1S/C9H12FNO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2,(H2,11,13,14)
InChIKeyUFYVNIBUOMLDMI-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.02
Rot. Bonds4

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

3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide (PubChem CID 115039399) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
PubChem CID115039399
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CC(O)Cc1cccc(F)c1
InChIInChI=1S/C9H12FNO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2,(H2,11,13,14)
InChIKeyUFYVNIBUOMLDMI-UHFFFAOYSA-N
XLogP0.02
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
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(2R)-1-(3-fluorophenyl)pentan-2-ol
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1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
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ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
1-(2,3-difluorophenyl)-3-(3-fluorophenyl)propan-2-ol
CID 55095181
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide?
The IUPAC name of 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide (CID 115039399) is 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide is NS(=O)(=O)CC(O)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide?
The InChIKey is UFYVNIBUOMLDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c10-8-3-1-2-7(4-8)5-9(12)6-15(11,13)14/h1-4,9,12H,5-6H2,(H2,11,13,14).
What are the key properties of 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide?
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 115039399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).