3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol

C10H14FNO3S — CID 64897992

IUPAC3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
SMILESNC(CCO)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-4,8,13H,5-7,12H2
InChIKeyOWGRPUWLXVMCRW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.31
Rot. Bonds5

About 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol

3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol (PubChem CID 64897992) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
PubChem CID64897992
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
SMILESNC(CCO)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H14FNO3S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-4,8,13H,5-7,12H2
InChIKeyOWGRPUWLXVMCRW-UHFFFAOYSA-N
XLogP0.31
TPSA80.39 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-methylphenyl)sulfonylbutan-1-ol
CID 64899074
3-amino-4-(2-nitrophenyl)sulfonylbutan-1-ol
CID 64898211
4-(2-fluorophenyl)sulfonyl-3-(methylamino)butan-1-ol
CID 64897786
3-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 64898402
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
1-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
CID 64645946
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
2-amino-4-hydroxybutane-1-sulfonamide
CID 174527655
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol?
The IUPAC name of 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol (CID 64897992) is 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol.
What is the SMILES notation for 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol?
The canonical SMILES for 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol is NC(CCO)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol?
The InChIKey is OWGRPUWLXVMCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-4,8,13H,5-7,12H2.
What are the key properties of 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol?
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol is sourced from PubChem (CID 64897992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).