4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide

C20H20N2O2S — CID 22907574

IUPAC4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccncc2)CCCC3)cc1
InChIInChI=1S/C20H20N2O2S/c21-25(23,24)17-5-3-15(4-6-17)18-13-20(9-1-2-10-20)14-19(18)16-7-11-22-12-8-16/h3-8,11-14H,1-2,9-10H2,(H2,21,23,24)
InChIKeyBLRSQKFZYAHSKK-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.77
Rot. Bonds3

About 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide

4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide (PubChem CID 22907574) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
PubChem CID22907574
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccncc2)CCCC3)cc1
InChIInChI=1S/C20H20N2O2S/c21-25(23,24)17-5-3-15(4-6-17)18-13-20(9-1-2-10-20)14-19(18)16-7-11-22-12-8-16/h3-8,11-14H,1-2,9-10H2,(H2,21,23,24)
InChIKeyBLRSQKFZYAHSKK-UHFFFAOYSA-N
XLogP3.77
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
CID 22907352
4-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907457
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-[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-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907628
5-[2-(4-methylsulfanylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907476
5-methyl-2-[2-(4-methylsulfonylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine
CID 22907575
4-[3,3-dimethyl-5-[4-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370457

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide (CID 22907574) is 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccncc2)CCCC3)cc1.
What is the InChIKey of 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide?
The InChIKey is BLRSQKFZYAHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c21-25(23,24)17-5-3-15(4-6-17)18-13-20(9-1-2-10-20)14-19(18)16-7-11-22-12-8-16/h3-8,11-14H,1-2,9-10H2,(H2,21,23,24).
What are the key properties of 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide?
4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide is sourced from PubChem (CID 22907574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).