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

C11H16FNO3S — CID 65185869

IUPAC4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol
SMILESCS(=O)(=O)CC(O)C(CN)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-17(15,16)7-11(14)9(6-13)8-4-2-3-5-10(8)12/h2-5,9,11,14H,6-7,13H2,1H3
InChIKeyFNTMRJRMPCWXNA-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.27
Rot. Bonds5

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

4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol (PubChem CID 65185869) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol
PubChem CID65185869
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol
SMILESCS(=O)(=O)CC(O)C(CN)c1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-17(15,16)7-11(14)9(6-13)8-4-2-3-5-10(8)12/h2-5,9,11,14H,6-7,13H2,1H3
InChIKeyFNTMRJRMPCWXNA-UHFFFAOYSA-N
XLogP0.27
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 75387105
(R)-N-[(1S,2R)-1-(4-fluorophenyl)-2-hydroxy-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 135000448
N-(2-hydroxy-3-phenylpropyl)propane-1-sulfonamide
CID 56794310
N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]butane-1-sulfonamide
CID 95633225
N-[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436440
N-[2-(4-fluorophenyl)-4-hydroxybutyl]methanesulfonamide
CID 69436442
(2S,3S,5R)-2-amino-1-(3-fluorophenyl)-3,8-dihydroxy-8-methylnonane-5-sulfonamide
CID 69689698
(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-8-methyl-1-phenylnonane-5-sulfonamide
CID 69689732
(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide
CID 70013537
(1R,2S)-2-amino-1-[4-(1,1-dioxothiolan-3-yl)phenyl]-3-fluoropropan-1-ol
CID 71050039
(1S,2R)-3-amino-1-(4-fluorophenyl)-1-(3-methylsulfonylphenyl)propan-2-ol
CID 130406660
3-Amino-1-(4-fluorophenyl)-1-(3-methylsulfonylphenyl)propan-2-ol
CID 138490049

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol?
The IUPAC name of 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol (CID 65185869) is 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol.
What is the SMILES notation for 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol?
The canonical SMILES for 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol is CS(=O)(=O)CC(O)C(CN)c1ccccc1F.
What is the InChIKey of 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol?
The InChIKey is FNTMRJRMPCWXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-17(15,16)7-11(14)9(6-13)8-4-2-3-5-10(8)12/h2-5,9,11,14H,6-7,13H2,1H3.
What are the key properties of 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol?
4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluorophenyl)-1-methylsulfonylbutan-2-ol is sourced from PubChem (CID 65185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).