6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride

C8H6ClFO5S — CID 84712248

IUPAC6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
SMILESCOc1c(F)cc2c(c1S(=O)(=O)Cl)OCO2
InChIInChI=1S/C8H6ClFO5S/c1-13-6-4(10)2-5-7(15-3-14-5)8(6)16(9,11)12/h2H,3H2,1H3
InChIKeyRXRKLZVAUGMOND-UHFFFAOYSA-N
MW268.65 g/mol
LogP1.49
Rot. Bonds2

About 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride

6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride (PubChem CID 84712248) has the molecular formula C8H6ClFO5S and a molecular weight of 268.65 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride.

Molecular Properties

Compound Name6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
PubChem CID84712248
Molecular FormulaC8H6ClFO5S
Molecular Weight268.65 g/mol
Exact Mass267.96
IUPAC Name6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
SMILESCOc1c(F)cc2c(c1S(=O)(=O)Cl)OCO2
InChIInChI=1S/C8H6ClFO5S/c1-13-6-4(10)2-5-7(15-3-14-5)8(6)16(9,11)12/h2H,3H2,1H3
InChIKeyRXRKLZVAUGMOND-UHFFFAOYSA-N
XLogP1.49
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117329917
3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 84703771
2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117385569
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanesulfonyl chloride
CID 84714862
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride?
The IUPAC name of 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride (CID 84712248) is 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride.
What is the SMILES notation for 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride?
The canonical SMILES for 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride is COc1c(F)cc2c(c1S(=O)(=O)Cl)OCO2.
What is the InChIKey of 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride?
The InChIKey is RXRKLZVAUGMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO5S/c1-13-6-4(10)2-5-7(15-3-14-5)8(6)16(9,11)12/h2H,3H2,1H3.
What are the key properties of 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride?
6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride has a molecular weight of 268.65 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride is sourced from PubChem (CID 84712248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).