methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate

C14H12O4S — CID 2247868

IUPACmethyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate
SMILESCOC(=O)/C=C\S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O4S/c1-18-14(15)8-9-19(16,17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3/b9-8-
InChIKeyOUCBQFLJRUKAIQ-HJWRWDBZSA-N
MW276.31 g/mol
LogP2.30
Rot. Bonds3

About methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate

methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate (PubChem CID 2247868) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate
PubChem CID2247868
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Namemethyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate
SMILESCOC(=O)/C=C\S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O4S/c1-18-14(15)8-9-19(16,17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3/b9-8-
InChIKeyOUCBQFLJRUKAIQ-HJWRWDBZSA-N
XLogP2.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.30
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 (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate?
The IUPAC name of methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate (CID 2247868) is methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate is COC(=O)/C=C\S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate?
The InChIKey is OUCBQFLJRUKAIQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H12O4S/c1-18-14(15)8-9-19(16,17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3/b9-8-.
What are the key properties of methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate?
methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate has a molecular weight of 276.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-naphthalen-2-ylsulfonylprop-2-enoate is sourced from PubChem (CID 2247868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).