6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

C16H20N4O4S — CID 135401252

IUPAC6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)cc2O)nc1
InChIInChI=1S/C16H20N4O4S/c1-3-20(4-2)25(23,24)14-7-8-16(17-11-14)19-18-10-12-5-6-13(21)9-15(12)22/h5-11,21-22H,3-4H2,1-2H3,(H,17,19)/b18-10+
InChIKeyKZBOZJYUPULZBU-VCHYOVAHSA-N
MW364.43 g/mol
LogP1.97
Rot. Bonds7

About 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide

6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 135401252) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID135401252
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)cc2O)nc1
InChIInChI=1S/C16H20N4O4S/c1-3-20(4-2)25(23,24)14-7-8-16(17-11-14)19-18-10-12-5-6-13(21)9-15(12)22/h5-11,21-22H,3-4H2,1-2H3,(H,17,19)/b18-10+
InChIKeyKZBOZJYUPULZBU-VCHYOVAHSA-N
XLogP1.97
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide (CID 135401252) is 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)cc2O)nc1.
What is the InChIKey of 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is KZBOZJYUPULZBU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-3-20(4-2)25(23,24)14-7-8-16(17-11-14)19-18-10-12-5-6-13(21)9-15(12)22/h5-11,21-22H,3-4H2,1-2H3,(H,17,19)/b18-10+.
What are the key properties of 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide?
6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 135401252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).