methyl 2-(benzenesulfonyl)prop-2-enoate

C10H10O4S — CID 14682681

IUPACmethyl 2-(benzenesulfonyl)prop-2-enoate
SMILESC=C(C(=O)OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O4S/c1-8(10(11)14-2)15(12,13)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeySKUGNYVCSZVFPF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.15
Rot. Bonds3

About methyl 2-(benzenesulfonyl)prop-2-enoate

methyl 2-(benzenesulfonyl)prop-2-enoate (PubChem CID 14682681) has the molecular formula C10H10O4S and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 2-(benzenesulfonyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(benzenesulfonyl)prop-2-enoate
PubChem CID14682681
Molecular FormulaC10H10O4S
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Namemethyl 2-(benzenesulfonyl)prop-2-enoate
SMILESC=C(C(=O)OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10O4S/c1-8(10(11)14-2)15(12,13)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChIKeySKUGNYVCSZVFPF-UHFFFAOYSA-N
XLogP1.15
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzenesulfonyl)prop-2-enoate?
The IUPAC name of methyl 2-(benzenesulfonyl)prop-2-enoate (CID 14682681) is methyl 2-(benzenesulfonyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(benzenesulfonyl)prop-2-enoate?
The canonical SMILES for methyl 2-(benzenesulfonyl)prop-2-enoate is C=C(C(=O)OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-(benzenesulfonyl)prop-2-enoate?
The InChIKey is SKUGNYVCSZVFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4S/c1-8(10(11)14-2)15(12,13)9-6-4-3-5-7-9/h3-7H,1H2,2H3.
What are the key properties of methyl 2-(benzenesulfonyl)prop-2-enoate?
methyl 2-(benzenesulfonyl)prop-2-enoate has a molecular weight of 226.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzenesulfonyl)prop-2-enoate is sourced from PubChem (CID 14682681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).