3-prop-2-enoxybenzenesulfonyl chloride

C9H9ClO3S — CID 61374246

IUPAC3-prop-2-enoxybenzenesulfonyl chloride
SMILESC=CCOc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H9ClO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2
InChIKeyRNZJXRGEAOCWKB-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.18
Rot. Bonds4

About 3-prop-2-enoxybenzenesulfonyl chloride

3-prop-2-enoxybenzenesulfonyl chloride (PubChem CID 61374246) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-prop-2-enoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-prop-2-enoxybenzenesulfonyl chloride
PubChem CID61374246
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name3-prop-2-enoxybenzenesulfonyl chloride
SMILESC=CCOc1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C9H9ClO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2
InChIKeyRNZJXRGEAOCWKB-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enoxybenzenesulfonamide
CID 71302797
3-(2-methylsulfonylethoxy)benzenesulfonyl chloride
CID 62499411
(3-prop-2-enoxyphenyl)azanium
CID 59822882
3-phenyl-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909640
3,5-dibromo-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909661
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
4-methylsulfonyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 94664257
ethane;3-prop-2-enoxyaniline
CID 143673688
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
3-but-2-enoxybenzenesulfonic acid
CID 175251443

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxybenzenesulfonyl chloride?
The IUPAC name of 3-prop-2-enoxybenzenesulfonyl chloride (CID 61374246) is 3-prop-2-enoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-prop-2-enoxybenzenesulfonyl chloride?
The canonical SMILES for 3-prop-2-enoxybenzenesulfonyl chloride is C=CCOc1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-prop-2-enoxybenzenesulfonyl chloride?
The InChIKey is RNZJXRGEAOCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c1-2-6-13-8-4-3-5-9(7-8)14(10,11)12/h2-5,7H,1,6H2.
What are the key properties of 3-prop-2-enoxybenzenesulfonyl chloride?
3-prop-2-enoxybenzenesulfonyl chloride has a molecular weight of 232.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxybenzenesulfonyl chloride is sourced from PubChem (CID 61374246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).