4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide

C19H17ClN2O2S — CID 22907647

IUPAC4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(Cl)nc2)CCC3)cc1
InChIInChI=1S/C19H17ClN2O2S/c20-18-7-4-14(12-22-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)25(21,23)24/h2-7,10-12H,1,8-9H2,(H2,21,23,24)
InChIKeyQWLOJFIIUBPGTM-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.03
Rot. Bonds3

About 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide

4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide (PubChem CID 22907647) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
PubChem CID22907647
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(Cl)nc2)CCC3)cc1
InChIInChI=1S/C19H17ClN2O2S/c20-18-7-4-14(12-22-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)25(21,23)24/h2-7,10-12H,1,8-9H2,(H2,21,23,24)
InChIKeyQWLOJFIIUBPGTM-UHFFFAOYSA-N
XLogP4.03
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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
4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
CID 22907352
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
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
4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
5-[2-(4-methylsulfanylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine-2-sulfonamide
CID 22907476
4-[3,3-difluoro-5-(6-fluoro-3-pyridinyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370535
2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907473
2-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-methylsulfonylpyridine
CID 22907562

Frequently Asked Questions

What is the IUPAC name of 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide?
The IUPAC name of 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide (CID 22907647) is 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide?
The canonical SMILES for 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2=CC3(C=C2c2ccc(Cl)nc2)CCC3)cc1.
What is the InChIKey of 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide?
The InChIKey is QWLOJFIIUBPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-18-7-4-14(12-22-18)17-11-19(8-1-9-19)10-16(17)13-2-5-15(6-3-13)25(21,23)24/h2-7,10-12H,1,8-9H2,(H2,21,23,24).
What are the key properties of 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide?
4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide has a molecular weight of 372.88 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(6-chloro-3-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide is sourced from PubChem (CID 22907647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).