4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide

C22H24N6O2S2 — CID 15358803

IUPAC4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide
SMILES[H]/N=C1C(=N/Nc2ccc(S(N)(=O)=O)cc2)\C(N2CCCCC2)=NC(=S)C\1c1ccccc1
InChIInChI=1S/C22H24N6O2S2/c23-19-18(15-7-3-1-4-8-15)22(31)25-21(28-13-5-2-6-14-28)20(19)27-26-16-9-11-17(12-10-16)32(24,29)30/h1,3-4,7-12,18,23,26H,2,5-6,13-14H2,(H2,24,29,30)/b23-19-,27-20+
InChIKeyCHNHUWFSAMLNJI-GGXHJIMXSA-N
MW468.61 g/mol
LogP3.13
Rot. Bonds4

About 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide

4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide (PubChem CID 15358803) has the molecular formula C22H24N6O2S2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide
PubChem CID15358803
Molecular FormulaC22H24N6O2S2
Molecular Weight468.61 g/mol
Exact Mass468.14
IUPAC Name4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide
SMILES[H]/N=C1C(=N/Nc2ccc(S(N)(=O)=O)cc2)\C(N2CCCCC2)=NC(=S)C\1c1ccccc1
InChIInChI=1S/C22H24N6O2S2/c23-19-18(15-7-3-1-4-8-15)22(31)25-21(28-13-5-2-6-14-28)20(19)27-26-16-9-11-17(12-10-16)32(24,29)30/h1,3-4,7-12,18,23,26H,2,5-6,13-14H2,(H2,24,29,30)/b23-19-,27-20+
InChIKeyCHNHUWFSAMLNJI-GGXHJIMXSA-N
XLogP3.13
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide (CID 15358803) is 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide is [H]/N=C1C(=N/Nc2ccc(S(N)(=O)=O)cc2)\C(N2CCCCC2)=NC(=S)C\1c1ccccc1.
What is the InChIKey of 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide?
The InChIKey is CHNHUWFSAMLNJI-GGXHJIMXSA-N. The full InChI is InChI=1S/C22H24N6O2S2/c23-19-18(15-7-3-1-4-8-15)22(31)25-21(28-13-5-2-6-14-28)20(19)27-26-16-9-11-17(12-10-16)32(24,29)30/h1,3-4,7-12,18,23,26H,2,5-6,13-14H2,(H2,24,29,30)/b23-19-,27-20+.
What are the key properties of 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide?
4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide has a molecular weight of 468.61 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-(4-imino-5-phenyl-2-piperidin-1-yl-6-sulfanylidene-3-pyridinylidene)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 15358803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).