N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide

C14H12N4O5S — CID 6737093

IUPACN-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O5S/c15-24(22,23)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18(20)21/h1-9H,(H,17,19)(H2,15,22,23)
InChIKeyJVZXCGWWHGDFPZ-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.01
Rot. Bonds5

About N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide

N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide (PubChem CID 6737093) has the molecular formula C14H12N4O5S and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
PubChem CID6737093
Molecular FormulaC14H12N4O5S
Molecular Weight348.34 g/mol
Exact Mass348.05
IUPAC NameN-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N4O5S/c15-24(22,23)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18(20)21/h1-9H,(H,17,19)(H2,15,22,23)
InChIKeyJVZXCGWWHGDFPZ-UHFFFAOYSA-N
XLogP1.01
TPSA144.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
N-[(E)-(2-nitrophenyl)methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 6902842
N-[(2-nitrophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925685
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 92648462
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907887
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
4-sulfamoyl-N-[(2,4,5-trifluorophenyl)methylideneamino]benzamide
CID 6736191
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide (CID 6737093) is N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NN=Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide?
The InChIKey is JVZXCGWWHGDFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S/c15-24(22,23)12-7-5-10(6-8-12)14(19)17-16-9-11-3-1-2-4-13(11)18(20)21/h1-9H,(H,17,19)(H2,15,22,23).
What are the key properties of N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide?
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide has a molecular weight of 348.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide is sourced from PubChem (CID 6737093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).