(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol

C10H12FNO4S — CID 112737060

IUPAC(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1C[C@H](O)CO1
InChIInChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-17(14,15)12-5-10(13)6-16-12/h1-4,10,13H,5-7H2/t10-/m0/s1
InChIKeyJRPKJBVDNMKPAQ-JTQLQIEISA-N
MW261.27 g/mol
LogP0.26
Rot. Bonds3

About (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol

(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol (PubChem CID 112737060) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol
PubChem CID112737060
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol
SMILESO=S(=O)(Cc1ccc(F)cc1)N1C[C@H](O)CO1
InChIInChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-17(14,15)12-5-10(13)6-16-12/h1-4,10,13H,5-7H2/t10-/m0/s1
InChIKeyJRPKJBVDNMKPAQ-JTQLQIEISA-N
XLogP0.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol 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

1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
1-[(4-Fluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 62918482
1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)methanesulfonamide
CID 64285332
N-(2,3-dihydroxy-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 66168853
N-(2,3-dihydroxypropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 66176475
(3R)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 66291690
(3R)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 71967759
(3S)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 79031469
(3R,4S)-1-[(4-fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol
CID 79410772
2-[(4-Fluorophenyl)methylsulfonyl]-1,2-oxazolidine
CID 104102198
1-[(4-Fluorophenyl)methylsulfonyl]pyrrolidine-3,4-diol
CID 106672467
(3S)-1-[(2,6-difluorophenyl)methylsulfonyl]pyrrolidin-3-ol
CID 109917768

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol?
The IUPAC name of (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol (CID 112737060) is (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol?
The canonical SMILES for (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol is O=S(=O)(Cc1ccc(F)cc1)N1C[C@H](O)CO1.
What is the InChIKey of (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol?
The InChIKey is JRPKJBVDNMKPAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-17(14,15)12-5-10(13)6-16-12/h1-4,10,13H,5-7H2/t10-/m0/s1.
What are the key properties of (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol?
(4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol has a molecular weight of 261.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(4-fluorophenyl)methylsulfonyl]-1,2-oxazolidin-4-ol is sourced from PubChem (CID 112737060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).