5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

C7H4FNO3S — CID 155540362

IUPAC5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2c(F)cccc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-2-1-3-7-5(6)4-9-13(10,11)12-7/h1-4H
InChIKeyBQCRYMCXGCDQPW-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.88
Rot. Bonds

About 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide

5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (PubChem CID 155540362) has the molecular formula C7H4FNO3S and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.

Molecular Properties

Compound Name5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
PubChem CID155540362
Molecular FormulaC7H4FNO3S
Molecular Weight201.18 g/mol
Exact Mass200.99
IUPAC Name5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide
SMILESO=S1(=O)N=Cc2c(F)cccc2O1
InChIInChI=1S/C7H4FNO3S/c8-6-2-1-3-7-5(6)4-9-13(10,11)12-7/h1-4H
InChIKeyBQCRYMCXGCDQPW-UHFFFAOYSA-N
XLogP0.88
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-1,2lambda~6~,3-Benzoxathiazine-2,2-dione
CID 12712805
1,2,3-Benzoxathiazine, 6-methyl-, 2,2-dioxide
CID 132511405
7-Methyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155543665
8-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155526095
7-Fluoro-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 155533851
8-Tert-butyl-1,2lambda6,3-benzoxathiazine 2,2-dioxide
CID 125495870
4-(Trifluoromethyl)-1,2,3-benzooxathiazine 2,2-dioxide
CID 21468630
6-Fluorobenzo[e][1,2,3]oxathiazine 2,2-dioxide
CID 71746515
4-Methyl-1,2lambda6,3-benzoxathiazine-2,2-dione
CID 2737954
4-Chloro-1,2lambda6,3-benzoxathiazine-2,2-dione
CID 171338314
[2-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl] trifluoromethanesulfonate
CID 11710161
3-Fluoro-2-hydroxybenzaldehyde oxime
CID 136219885

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The IUPAC name of 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide (CID 155540362) is 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide.
What is the SMILES notation for 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The canonical SMILES for 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is O=S1(=O)N=Cc2c(F)cccc2O1.
What is the InChIKey of 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
The InChIKey is BQCRYMCXGCDQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S/c8-6-2-1-3-7-5(6)4-9-13(10,11)12-7/h1-4H.
What are the key properties of 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide?
5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide has a molecular weight of 201.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2λ6,3-benzoxathiazine 2,2-dioxide is sourced from PubChem (CID 155540362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).