N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide

C23H40N2O3S — CID 136678661

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29(27,28)25-24-21-22-18-15-16-19-23(22)26/h15-16,18-19,21,25-26H,2-14,17,20H2,1H3/b24-21-
InChIKeyOCBNPJMBZAFZBT-FLFQWRMESA-N
MW424.65 g/mol
LogP6.13
Rot. Bonds18

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide (PubChem CID 136678661) has the molecular formula C23H40N2O3S and a molecular weight of 424.65 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide
PubChem CID136678661
Molecular FormulaC23H40N2O3S
Molecular Weight424.65 g/mol
Exact Mass424.28
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide
SMILESCCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29(27,28)25-24-21-22-18-15-16-19-23(22)26/h15-16,18-19,21,25-26H,2-14,17,20H2,1H3/b24-21-
InChIKeyOCBNPJMBZAFZBT-FLFQWRMESA-N
XLogP6.13
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide (CID 136678661) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide is CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1O.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide?
The InChIKey is OCBNPJMBZAFZBT-FLFQWRMESA-N. The full InChI is InChI=1S/C23H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29(27,28)25-24-21-22-18-15-16-19-23(22)26/h15-16,18-19,21,25-26H,2-14,17,20H2,1H3/b24-21-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide has a molecular weight of 424.65 g/mol, XLogP of 6.13, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexadecane-1-sulfonamide is sourced from PubChem (CID 136678661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).