6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide

C20H20N2O2S2 — CID 22907342

IUPAC6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
SMILESCSc1ccc(C2=CC3(C=C2c2ccc(S(N)(=O)=O)cn2)CCC3)cc1
InChIInChI=1S/C20H20N2O2S2/c1-25-15-5-3-14(4-6-15)17-11-20(9-2-10-20)12-18(17)19-8-7-16(13-22-19)26(21,23)24/h3-8,11-13H,2,9-10H2,1H3,(H2,21,23,24)
InChIKeyHUQSXKWVDHUBGV-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.10
Rot. Bonds4

About 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide

6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide (PubChem CID 22907342) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
PubChem CID22907342
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
SMILESCSc1ccc(C2=CC3(C=C2c2ccc(S(N)(=O)=O)cn2)CCC3)cc1
InChIInChI=1S/C20H20N2O2S2/c1-25-15-5-3-14(4-6-15)17-11-20(9-2-10-20)12-18(17)19-8-7-16(13-22-19)26(21,23)24/h3-8,11-13H,2,9-10H2,1H3,(H2,21,23,24)
InChIKeyHUQSXKWVDHUBGV-UHFFFAOYSA-N
XLogP4.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-methylsulfonylpyridine
CID 22907562
4-[7-(5-chloro-2-pyridinyl)spiro[3.4]octa-5,7-dien-6-yl]benzenesulfonamide
CID 22907459
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-methyl-2-[2-(4-methylsulfonylphenyl)spiro[4.4]nona-1,3-dien-3-yl]pyridine
CID 22907575
4-(6-pyridin-2-ylspiro[2.4]hepta-4,6-dien-5-yl)benzenesulfonamide
CID 22907514
4-[6-(4-sulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]benzenesulfonamide
CID 22907352
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
4-[5-(5-fluoro-2-pyridinyl)-3,3-dimethylcyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370430
2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine
CID 22907473

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide (CID 22907342) is 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide is CSc1ccc(C2=CC3(C=C2c2ccc(S(N)(=O)=O)cn2)CCC3)cc1.
What is the InChIKey of 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide?
The InChIKey is HUQSXKWVDHUBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-25-15-5-3-14(4-6-15)17-11-20(9-2-10-20)12-18(17)19-8-7-16(13-22-19)26(21,23)24/h3-8,11-13H,2,9-10H2,1H3,(H2,21,23,24).
What are the key properties of 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide?
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide has a molecular weight of 384.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 22907342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).