4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide

C20H21NO3S — CID 10784411

IUPAC4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1
InChIInChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23)
InChIKeyZSRPJFBRCNQTJM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.83
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide

4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide (PubChem CID 10784411) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide
PubChem CID10784411
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide
SMILESCOc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1
InChIInChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23)
InChIKeyZSRPJFBRCNQTJM-UHFFFAOYSA-N
XLogP3.83
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide (CID 10784411) is 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide is COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide?
The InChIKey is ZSRPJFBRCNQTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-24-16-6-2-14(3-7-16)18-12-20(10-11-20)13-19(18)15-4-8-17(9-5-15)25(21,22)23/h2-9H,10-13H2,1H3,(H2,21,22,23).
What are the key properties of 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)spiro[2.4]hept-5-en-6-yl]benzenesulfonamide is sourced from PubChem (CID 10784411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).