4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide

C20H19NO2S2 — CID 22907352

IUPAC4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(S)cc2)CCC3)cc1
InChIInChI=1S/C20H19NO2S2/c21-25(22,23)17-8-4-15(5-9-17)19-13-20(10-1-11-20)12-18(19)14-2-6-16(24)7-3-14/h2-9,12-13,24H,1,10-11H2,(H2,21,22,23)
InChIKeyYQRJEUYURNWVGV-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.27
Rot. Bonds3

About 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide

4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide (PubChem CID 22907352) has the molecular formula C20H19NO2S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
PubChem CID22907352
Molecular FormulaC20H19NO2S2
Molecular Weight369.51 g/mol
Exact Mass369.09
IUPAC Name4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(S)cc2)CCC3)cc1
InChIInChI=1S/C20H19NO2S2/c21-25(22,23)17-8-4-15(5-9-17)19-13-20(10-1-11-20)12-18(19)14-2-6-16(24)7-3-14/h2-9,12-13,24H,1,10-11H2,(H2,21,22,23)
InChIKeyYQRJEUYURNWVGV-UHFFFAOYSA-N
XLogP4.27
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
CID 22907574
4-[6-(4-chlorophenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenesulfonamide
CID 22907557
4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907647
4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907465
4-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907628
6-(3,4-dibromophenyl)-5-[4-(fluoromethylsulfonyl)phenyl]spiro[2.4]hepta-4,6-diene
CID 22907385
6-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-diene
CID 22907400
5-[2-(4-methylsulfanylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907476
4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide (CID 22907352) is 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(S)cc2)CCC3)cc1.
What is the InChIKey of 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide?
The InChIKey is YQRJEUYURNWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S2/c21-25(22,23)17-8-4-15(5-9-17)19-13-20(10-1-11-20)12-18(19)14-2-6-16(24)7-3-14/h2-9,12-13,24H,1,10-11H2,(H2,21,22,23).
What are the key properties of 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide?
4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide has a molecular weight of 369.51 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide is sourced from PubChem (CID 22907352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).