4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide

C18H16N2O2S — CID 22907514

IUPAC4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccccn2)CC3)cc1
InChIInChI=1S/C18H16N2O2S/c19-23(21,22)14-6-4-13(5-7-14)15-11-18(8-9-18)12-16(15)17-3-1-2-10-20-17/h1-7,10-12H,8-9H2,(H2,19,21,22)
InChIKeyNONPIUYMDHZSQB-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.99
Rot. Bonds3

About 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide

4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide (PubChem CID 22907514) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
PubChem CID22907514
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccccn2)CC3)cc1
InChIInChI=1S/C18H16N2O2S/c19-23(21,22)14-6-4-13(5-7-14)15-11-18(8-9-18)12-16(15)17-3-1-2-10-20-17/h1-7,10-12H,8-9H2,(H2,19,21,22)
InChIKeyNONPIUYMDHZSQB-UHFFFAOYSA-N
XLogP2.99
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-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-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
4-[6-(4-chlorophenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenesulfonamide
CID 22907557
4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
CID 22907574
4-[4,4-dimethyl-2-(4-pyridin-2-ylphenyl)cyclopenten-1-yl]benzenesulfonamide
CID 22917330
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
CID 22907352
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-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907457
4-[5-(5-fluoro-2-pyridinyl)-3,3-dimethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370430
4-[3,3-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370539
5-methyl-2-[2-(4-methylsulfonylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine
CID 22907575

Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide?
The IUPAC name of 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide (CID 22907514) is 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccccn2)CC3)cc1.
What is the InChIKey of 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide?
The InChIKey is NONPIUYMDHZSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c19-23(21,22)14-6-4-13(5-7-14)15-11-18(8-9-18)12-16(15)17-3-1-2-10-20-17/h1-7,10-12H,8-9H2,(H2,19,21,22).
What are the key properties of 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide?
4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide is sourced from PubChem (CID 22907514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).