6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

C15H13ClFNO4S — CID 175746118

IUPAC6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCc1c(Oc2cc(F)cc(Cl)c2)ccc2c1S(=O)(=O)N(C)C2O
InChIInChI=1S/C15H13ClFNO4S/c1-8-13(22-11-6-9(16)5-10(17)7-11)4-3-12-14(8)23(20,21)18(2)15(12)19/h3-7,15,19H,1-2H3
InChIKeyHFZOZJZVCGNXCK-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.20
Rot. Bonds2

About 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (PubChem CID 175746118) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
PubChem CID175746118
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCc1c(Oc2cc(F)cc(Cl)c2)ccc2c1S(=O)(=O)N(C)C2O
InChIInChI=1S/C15H13ClFNO4S/c1-8-13(22-11-6-9(16)5-10(17)7-11)4-3-12-14(8)23(20,21)18(2)15(12)19/h3-7,15,19H,1-2H3
InChIKeyHFZOZJZVCGNXCK-UHFFFAOYSA-N
XLogP3.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol with MolForge

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Related Compounds

5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
CID 175748403
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
4-(3-chloro-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2-phosphanyl-1,3-dihydroinden-1-ol
CID 123735158
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
CID 144870013
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 118165044
(1S,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 162780947
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523507
(1R,3R)-6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3-trifluoro-3H-1-benzothiophene 1-oxide
CID 151802879
4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
(1S)-4-(3-chloro-5-fluorophenoxy)-3-(hydroxymethyl)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 121269854
3-[[2-(cyclopropylmethyl)-7-methyl-1,1,3-trioxo-1,2-benzothiazol-6-yl]oxy]-5-fluorobenzonitrile
CID 175746114

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The IUPAC name of 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (CID 175746118) is 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.
What is the SMILES notation for 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The canonical SMILES for 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is Cc1c(Oc2cc(F)cc(Cl)c2)ccc2c1S(=O)(=O)N(C)C2O.
What is the InChIKey of 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The InChIKey is HFZOZJZVCGNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-8-13(22-11-6-9(16)5-10(17)7-11)4-3-12-14(8)23(20,21)18(2)15(12)19/h3-7,15,19H,1-2H3.
What are the key properties of 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol has a molecular weight of 357.79 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is sourced from PubChem (CID 175746118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).