5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide

C20H19FN2O2S — CID 22907628

IUPAC5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CCCC3)cn1
InChIInChI=1S/C20H19FN2O2S/c21-16-6-3-14(4-7-16)17-11-20(9-1-2-10-20)12-18(17)15-5-8-19(23-13-15)26(22,24)25/h3-8,11-13H,1-2,9-10H2,(H2,22,24,25)
InChIKeyJOCVTVRZHKJQMO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.91
Rot. Bonds3

About 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide

5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide (PubChem CID 22907628) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
PubChem CID22907628
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CCCC3)cn1
InChIInChI=1S/C20H19FN2O2S/c21-16-6-3-14(4-7-16)17-11-20(9-1-2-10-20)12-18(17)15-5-8-19(23-13-15)26(22,24)25/h3-8,11-13H,1-2,9-10H2,(H2,22,24,25)
InChIKeyJOCVTVRZHKJQMO-UHFFFAOYSA-N
XLogP3.91
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-methylsulfanylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907476
4-[7-(6-fluoro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907465
4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907647
4-(3-pyridin-4-ylspiro[4.4]nona-1,3-dien-2-yl)benzenesulfonamide
CID 22907574
5-[2-(4-fluorophenyl)-4-(trifluoromethyl)cyclopenten-1-yl]pyridine-2-sulfonamide
CID 22917315
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
4-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
CID 22907352
2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907473
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370535
5-methyl-2-[2-(4-methylsulfonylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine
CID 22907575
4-[6-(4-chlorophenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenesulfonamide
CID 22907557

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide?
The IUPAC name of 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide (CID 22907628) is 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(F)cc2)CCCC3)cn1.
What is the InChIKey of 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide?
The InChIKey is JOCVTVRZHKJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c21-16-6-3-14(4-7-16)17-11-20(9-1-2-10-20)12-18(17)15-5-8-19(23-13-15)26(22,24)25/h3-8,11-13H,1-2,9-10H2,(H2,22,24,25).
What are the key properties of 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide?
5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide has a molecular weight of 370.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 22907628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).