N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide

C15H14N4O6S — CID 135829847

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H14N4O6S/c20-13-5-1-11(2-6-13)9-16-18-15(21)10-17-26(24,25)14-7-3-12(4-8-14)19(22)23/h1-9,17,20H,10H2,(H,18,21)/b16-9-
InChIKeyWMVVKCKLNNCJPG-SXGWCWSVSA-N
MW378.37 g/mol
LogP0.73
Rot. Bonds7

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 135829847) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
PubChem CID135829847
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C15H14N4O6S/c20-13-5-1-11(2-6-13)9-16-18-15(21)10-17-26(24,25)14-7-3-12(4-8-14)19(22)23/h1-9,17,20H,10H2,(H,18,21)/b16-9-
InChIKeyWMVVKCKLNNCJPG-SXGWCWSVSA-N
XLogP0.73
TPSA151.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide (CID 135829847) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is WMVVKCKLNNCJPG-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H14N4O6S/c20-13-5-1-11(2-6-13)9-16-18-15(21)10-17-26(24,25)14-7-3-12(4-8-14)19(22)23/h1-9,17,20H,10H2,(H,18,21)/b16-9-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 378.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 135829847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).