N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide

C16H26N2O4S — CID 136863910

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H26N2O4S/c1-2-3-4-5-6-7-8-11-23(21,22)18-17-13-14-9-10-15(19)12-16(14)20/h9-10,12-13,18-20H,2-8,11H2,1H3/b17-13-
InChIKeyZMKBJRXMRXRIAB-LGMDPLHJSA-N
MW342.46 g/mol
LogP3.10
Rot. Bonds11

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide (PubChem CID 136863910) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide
PubChem CID136863910
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)N/N=C\c1ccc(O)cc1O
InChIInChI=1S/C16H26N2O4S/c1-2-3-4-5-6-7-8-11-23(21,22)18-17-13-14-9-10-15(19)12-16(14)20/h9-10,12-13,18-20H,2-8,11H2,1H3/b17-13-
InChIKeyZMKBJRXMRXRIAB-LGMDPLHJSA-N
XLogP3.10
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'Aliphatic_long_chain', '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 N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide (CID 136863910) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide is CCCCCCCCCS(=O)(=O)N/N=C\c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide?
The InChIKey is ZMKBJRXMRXRIAB-LGMDPLHJSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-2-3-4-5-6-7-8-11-23(21,22)18-17-13-14-9-10-15(19)12-16(14)20/h9-10,12-13,18-20H,2-8,11H2,1H3/b17-13-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 3.10, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]nonane-1-sulfonamide is sourced from PubChem (CID 136863910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).