6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide

C19H20N2O2S — CID 18933712

IUPAC6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
SMILESCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cn3)CC3(CC3)C2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)16-10-19(8-9-19)11-17(16)18-7-6-15(12-21-18)24(20,22)23/h2-7,12H,8-11H2,1H3,(H2,20,22,23)
InChIKeyVISKKUXXPXKOLJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.52
Rot. Bonds3

About 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide

6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide (PubChem CID 18933712) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
PubChem CID18933712
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
SMILESCc1ccc(C2=C(c3ccc(S(N)(=O)=O)cn3)CC3(CC3)C2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)16-10-19(8-9-19)11-17(16)18-7-6-15(12-21-18)24(20,22)23/h2-7,12H,8-11H2,1H3,(H2,20,22,23)
InChIKeyVISKKUXXPXKOLJ-UHFFFAOYSA-N
XLogP3.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
CID 18933883
2-[5-(4-chlorophenyl)spiro[2.4]hept-5-en-6-yl]-5-methylsulfonylpyridine
CID 18934071
6-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]pyridine-3-sulfonamide
CID 22917458
4-[6-[6-(trifluoromethyl)-3-pyridinyl]spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18933800
5-chloro-2-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933788
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
CID 18933691
[4-[2-(4-methylphenyl)spiro[4.4]non-2-en-3-yl]phenyl]methanesulfonamide
CID 139746315
4-[6-(4-chloro-3-fluorophenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18934050
2-[4,4-diethyl-2-(4-fluorophenyl)cyclopenten-1-yl]-5-methylsulfonylpyridine
CID 22917275
6-(4-bromo-3-methylphenyl)-5-[4-(difluoromethylsulfonyl)phenyl]spiro[2.4]hept-5-ene
CID 18934042

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide (CID 18933712) is 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide is Cc1ccc(C2=C(c3ccc(S(N)(=O)=O)cn3)CC3(CC3)C2)cc1.
What is the InChIKey of 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide?
The InChIKey is VISKKUXXPXKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)16-10-19(8-9-19)11-17(16)18-7-6-15(12-21-18)24(20,22)23/h2-7,12H,8-11H2,1H3,(H2,20,22,23).
What are the key properties of 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide?
6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 18933712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).