2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

C8H7ClO4S — CID 2776169

IUPAC2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKeyJWHSRWUHRLYAPM-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.39
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride

2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride (PubChem CID 2776169) has the molecular formula C8H7ClO4S and a molecular weight of 234.66 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
PubChem CID2776169
Molecular FormulaC8H7ClO4S
Molecular Weight234.66 g/mol
Exact Mass233.98
IUPAC Name2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2
InChIKeyJWHSRWUHRLYAPM-UHFFFAOYSA-N
XLogP1.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dihydro-1,4-benzodioxine-6-sulfonamide
CID 2769942
3,4-Dimethoxybenzene-1-sulfonamide
CID 679488
3,4-Diethoxybenzene-1-sulfonamide
CID 4962704
3-(2,3-Dihydro-1,4-benzodioxine-6-sulfonyl)propanoic acid
CID 6496750
3,4-Dimethoxybenzenesulfonyl chloride
CID 2734183
N-(3-methoxypropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2890764
N-isobutyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2889243
3,4-dihydro-2H-1,5-benzodioxepine-7-thiol
CID 3556879
4-Ethoxybenzene-1-sulfonyl chloride
CID 3688334
4-Butoxybenzenesulfonyl Chloride
CID 517990
2,3-Dihydro-1,4-benzodioxine-6-thiol
CID 2758837
4-(Propan-2-yloxy)benzene-1-sulfonyl chloride
CID 22327297

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride (CID 2776169) is 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride?
The InChIKey is JWHSRWUHRLYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride?
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride has a molecular weight of 234.66 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride is sourced from PubChem (CID 2776169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).