5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

C15H13ClFNO4S — CID 175748403

IUPAC5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCc1c(Oc2cc(F)cc(Cl)c2)ccc2c1C(O)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClFNO4S/c1-8-12(22-11-6-9(16)5-10(17)7-11)3-4-13-14(8)15(19)18(2)23(13,20)21/h3-7,15,19H,1-2H3
InChIKeyOCNVNWCZCJKKIL-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.20
Rot. Bonds2

About 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol

5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (PubChem CID 175748403) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
PubChem CID175748403
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
SMILESCc1c(Oc2cc(F)cc(Cl)c2)ccc2c1C(O)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClFNO4S/c1-8-12(22-11-6-9(16)5-10(17)7-11)3-4-13-14(8)15(19)18(2)23(13,20)21/h3-7,15,19H,1-2H3
InChIKeyOCNVNWCZCJKKIL-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 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol with MolForge

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Related Compounds

6-(3-chloro-5-fluorophenoxy)-2,7-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol
CID 175746118
5-(3-chloro-5-fluorophenoxy)-4-(difluoromethyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 118165044
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
4-chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3H-1-benzothiophen-3-ol
CID 144870013
4-(3-chloro-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2-phosphanyl-1,3-dihydroinden-1-ol
CID 123735158
4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
(1S)-4-(3-chloro-5-fluorophenoxy)-3-(hydroxymethyl)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 121269854
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
6-(3-chloro-5-fluorophenoxy)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-1H-inden-1-ol
CID 146523507
ethyl 2-[4-bromo-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1-imino-1-oxo-1-benzothiophen-3-yl]acetate
CID 171575807
2-bromo-3-(3-chloro-5-fluorophenoxy)-6-(trifluoromethylsulfonyl)benzoic acid
CID 177084704

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The IUPAC name of 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol (CID 175748403) is 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol.
What is the SMILES notation for 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The canonical SMILES for 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is Cc1c(Oc2cc(F)cc(Cl)c2)ccc2c1C(O)N(C)S2(=O)=O.
What is the InChIKey of 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
The InChIKey is OCNVNWCZCJKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c1-8-12(22-11-6-9(16)5-10(17)7-11)3-4-13-14(8)15(19)18(2)23(13,20)21/h3-7,15,19H,1-2H3.
What are the key properties of 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol?
5-(3-chloro-5-fluorophenoxy)-2,4-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 5-(3-chloro-5-fluorophenoxy)-2,4-dimethyl-1,1-dioxo-3H-1,2-benzothiazol-3-ol is sourced from PubChem (CID 175748403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).