4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide

C9H10FNO3S — CID 118463237

IUPAC4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1c1cccc(F)c1
InChIInChI=1S/C9H10FNO3S/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13/h1-3,6H,4-5,7H2
InChIKeyLFKPRADUZORLJK-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.95
Rot. Bonds1

About 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide

4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 118463237) has the molecular formula C9H10FNO3S and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID118463237
Molecular FormulaC9H10FNO3S
Molecular Weight231.25 g/mol
Exact Mass231.04
IUPAC Name4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1c1cccc(F)c1
InChIInChI=1S/C9H10FNO3S/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13/h1-3,6H,4-5,7H2
InChIKeyLFKPRADUZORLJK-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide 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

carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 158440505
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-fluorobenzamide
CID 118463080
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
1-(3-fluorophenyl)pyrazolidin-3-one
CID 70478682
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
2-(3-fluorophenyl)-3-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016747

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide (CID 118463237) is 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide is O=S1(=O)COCCN1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is LFKPRADUZORLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13/h1-3,6H,4-5,7H2.
What are the key properties of 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 231.25 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 118463237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).