4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide

C21H24N2O2S2 — CID 18933883

IUPAC4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
SMILESCSc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CCCC3)C2)nc1
InChIInChI=1S/C21H24N2O2S2/c1-26-16-6-9-20(23-14-16)19-13-21(10-2-3-11-21)12-18(19)15-4-7-17(8-5-15)27(22,24)25/h4-9,14H,2-3,10-13H2,1H3,(H2,22,24,25)
InChIKeyAMDRIRBLYXHKSP-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.72
Rot. Bonds4

About 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide

4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide (PubChem CID 18933883) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
PubChem CID18933883
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC Name4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide
SMILESCSc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CCCC3)C2)nc1
InChIInChI=1S/C21H24N2O2S2/c1-26-16-6-9-20(23-14-16)19-13-21(10-2-3-11-21)12-18(19)15-4-7-17(8-5-15)27(22,24)25/h4-9,14H,2-3,10-13H2,1H3,(H2,22,24,25)
InChIKeyAMDRIRBLYXHKSP-UHFFFAOYSA-N
XLogP4.72
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(4-methylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine-3-sulfonamide
CID 18933712
4-[6-(4-methylphenyl)spiro[3.4]oct-6-en-7-yl]benzenesulfonamide
CID 18934094
6-(4-methylsulfanylphenyl)-7-(4-methylsulfonylphenyl)spiro[3.4]oct-6-ene
CID 18933916
5-chloro-2-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933788
4-[7-[6-(trifluoromethyl)-3-pyridinyl]spiro[3.4]oct-6-en-6-yl]benzenesulfonamide
CID 18933691
6-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-sulfonamide
CID 22907342
2-methylsulfanyl-5-[6-(4-methylsulfonylphenyl)spiro[3.4]oct-6-en-7-yl]pyridine
CID 18933915
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
4-[4,4-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl]cyclopenten-1-yl]benzenesulfonamide
CID 22917492
4-[6-(4-chloro-3-fluorophenyl)spiro[2.4]hept-5-en-5-yl]benzenesulfonamide
CID 18934050

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide (CID 18933883) is 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide is CSc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CCCC3)C2)nc1.
What is the InChIKey of 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide?
The InChIKey is AMDRIRBLYXHKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-26-16-6-9-20(23-14-16)19-13-21(10-2-3-11-21)12-18(19)15-4-7-17(8-5-15)27(22,24)25/h4-9,14H,2-3,10-13H2,1H3,(H2,22,24,25).
What are the key properties of 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide?
4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylsulfanyl-2-pyridinyl)spiro[4.4]non-2-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 18933883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).