N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide

C15H14N4O7S — CID 135613794

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H14N4O7S/c20-12-4-1-10(14(21)7-12)8-16-18-15(22)9-17-27(25,26)13-5-2-11(3-6-13)19(23)24/h1-8,17,20-21H,9H2,(H,18,22)/b16-8+
InChIKeyRYVMITALXNUJBX-LZYBPNLTSA-N
MW394.37 g/mol
LogP0.43
Rot. Bonds7

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 135613794) has the molecular formula C15H14N4O7S and a molecular weight of 394.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
PubChem CID135613794
Molecular FormulaC15H14N4O7S
Molecular Weight394.37 g/mol
Exact Mass394.06
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H14N4O7S/c20-12-4-1-10(14(21)7-12)8-16-18-15(22)9-17-27(25,26)13-5-2-11(3-6-13)19(23)24/h1-8,17,20-21H,9H2,(H,18,22)/b16-8+
InChIKeyRYVMITALXNUJBX-LZYBPNLTSA-N
XLogP0.43
TPSA171.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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': '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-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide (CID 135613794) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is RYVMITALXNUJBX-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H14N4O7S/c20-12-4-1-10(14(21)7-12)8-16-18-15(22)9-17-27(25,26)13-5-2-11(3-6-13)19(23)24/h1-8,17,20-21H,9H2,(H,18,22)/b16-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 394.37 g/mol, XLogP of 0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 135613794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).