4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide

C10H11F2NO3S — CID 70759885

IUPAC4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c11-9-2-1-8(5-10(9)12)6-13-3-4-16-7-17(13,14)15/h1-2,5H,3-4,6-7H2
InChIKeyJULOZQCIDIUGDL-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.08
Rot. Bonds2

About 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide

4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 70759885) has the molecular formula C10H11F2NO3S and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID70759885
Molecular FormulaC10H11F2NO3S
Molecular Weight263.26 g/mol
Exact Mass263.04
IUPAC Name4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=S1(=O)COCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3S/c11-9-2-1-8(5-10(9)12)6-13-3-4-16-7-17(13,14)15/h1-2,5H,3-4,6-7H2
InChIKeyJULOZQCIDIUGDL-UHFFFAOYSA-N
XLogP1.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

{[(2-Fluorophenyl)methyl][2-(morpholin-4-YL)ethyl]sulfamoyl}dimethylamine
CID 665482
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
5-Benzyl-1,4,5-oxathiazepane 4,4-dioxide
CID 24816509
N-[(4-fluorophenyl)methyl]-2-morpholin-4-ylethanesulfonamide
CID 76332110
4-(2,5-Difluorobenzyl)morpholine
CID 743078
4-(3,4-Difluorobenzyl)morpholine
CID 783106
4-(4-Fluorobenzyl)morpholine
CID 783657
4-(2,6-Difluorobenzyl)morpholine
CID 2845287
Trifluoro-methanesulfonic acid 1-benzyl-1,2,5,6-tetrahydro-pyridin-3-yl ester
CID 10947197
N-[(3-fluorophenyl)methyl]-N-methylmorpholine-4-sulfonamide
CID 45804474
N-[(4-fluorophenyl)methyl]-N-methylmorpholine-4-sulfonamide
CID 45804494

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide (CID 70759885) is 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide is O=S1(=O)COCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is JULOZQCIDIUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3S/c11-9-2-1-8(5-10(9)12)6-13-3-4-16-7-17(13,14)15/h1-2,5H,3-4,6-7H2.
What are the key properties of 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide?
4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 263.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)methyl]-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 70759885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).