4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one

C7H4FNO4S — CID 174810630

IUPAC4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1c2c(F)cccc2S(=O)(=O)N1O
InChIInChI=1S/C7H4FNO4S/c8-4-2-1-3-5-6(4)7(10)9(11)14(5,12)13/h1-3,11H
InChIKeyWSENPKBGTXHSRD-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.36
Rot. Bonds

About 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one

4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 174810630) has the molecular formula C7H4FNO4S and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID174810630
Molecular FormulaC7H4FNO4S
Molecular Weight217.18 g/mol
Exact Mass216.98
IUPAC Name4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1c2c(F)cccc2S(=O)(=O)N1O
InChIInChI=1S/C7H4FNO4S/c8-4-2-1-3-5-6(4)7(10)9(11)14(5,12)13/h1-3,11H
InChIKeyWSENPKBGTXHSRD-UHFFFAOYSA-N
XLogP0.36
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1,1-dioxo-1-benzothiophene-3-carboxylic acid
CID 117119449
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
5-bromo-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 130352017
2,2,11,11-tetraoxo-2λ6,11λ6-dithia-1,3-diazatricyclo[6.2.1.04,9]undeca-4(9),5,7-trien-10-one
CID 141013282
2-methyl-4-(methylamino)-1,1-dioxo-1,2-benzothiazol-3-one
CID 117003884
3,3,12,12-tetraoxo-2,4-dioxa-3λ6,12λ6-dithia-1-azatricyclo[7.2.1.05,10]dodeca-5(10),6,8-trien-11-one
CID 140521011
2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetic acid
CID 130161137
1,8-difluoroanthracene-9,10-dione
CID 10911747
2-(4-fluoro-1,1-dioxo-1-benzothiophen-3-yl)acetaldehyde
CID 117194808
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55876661
2-(4-ethyl-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 71436364
2-(chloromethyl)-4-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 70046454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one (CID 174810630) is 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one is O=C1c2c(F)cccc2S(=O)(=O)N1O.
What is the InChIKey of 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is WSENPKBGTXHSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO4S/c8-4-2-1-3-5-6(4)7(10)9(11)14(5,12)13/h1-3,11H.
What are the key properties of 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one?
4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 217.18 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 174810630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).