6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride

C12H8ClNO5S — CID 115928074

IUPAC6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C12H8ClNO5S/c13-20(15,16)9-2-4-12(14-6-9)19-8-1-3-10-11(5-8)18-7-17-10/h1-6H,7H2
InChIKeyKQPKLVWIEVITOD-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.53
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride

6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride (PubChem CID 115928074) has the molecular formula C12H8ClNO5S and a molecular weight of 313.72 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
PubChem CID115928074
Molecular FormulaC12H8ClNO5S
Molecular Weight313.72 g/mol
Exact Mass312.98
IUPAC Name6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C12H8ClNO5S/c13-20(15,16)9-2-4-12(14-6-9)19-8-1-3-10-11(5-8)18-7-17-10/h1-6H,7H2
InChIKeyKQPKLVWIEVITOD-UHFFFAOYSA-N
XLogP2.53
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-yloxy)pyridine-3-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

6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
6-quinolin-7-yloxypyridine-3-sulfonyl chloride
CID 107313180
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
CID 112572747
2-(1,3-benzodioxol-5-yloxy)-5-butan-2-ylpyridine
CID 70948992
6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 115928135
N-[[6-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296536
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
CID 80881241
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
6-cyclopropyloxypyridine-3-sulfonyl chloride
CID 130116328

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride (CID 115928074) is 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride?
The InChIKey is KQPKLVWIEVITOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO5S/c13-20(15,16)9-2-4-12(14-6-9)19-8-1-3-10-11(5-8)18-7-17-10/h1-6H,7H2.
What are the key properties of 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride?
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride has a molecular weight of 313.72 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).