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

C15H14N4O5S — CID 6279022

IUPAC2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O5S/c20-15(11-17-25(23,24)14-4-2-1-3-5-14)18-16-10-12-6-8-13(9-7-12)19(21)22/h1-10,17H,11H2,(H,18,20)/b16-10-
InChIKeyZFXPQMAUZBYEBP-YBEGLDIGSA-N
MW362.37 g/mol
LogP1.02
Rot. Bonds7

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

2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 6279022) has the molecular formula C15H14N4O5S and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID6279022
Molecular FormulaC15H14N4O5S
Molecular Weight362.37 g/mol
Exact Mass362.07
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O5S/c20-15(11-17-25(23,24)14-4-2-1-3-5-14)18-16-10-12-6-8-13(9-7-12)19(21)22/h1-10,17H,11H2,(H,18,20)/b16-10-
InChIKeyZFXPQMAUZBYEBP-YBEGLDIGSA-N
XLogP1.02
TPSA130.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.02
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

4-[[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfamoyl]benzoic acid
CID 89116773
2-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]acetamide
CID 44592036
2-(benzenesulfonamido)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 9038855
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 124542642
2-chloro-N-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3125178
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 6021477
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6009175
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide (CID 6279022) is 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZFXPQMAUZBYEBP-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N4O5S/c20-15(11-17-25(23,24)14-4-2-1-3-5-14)18-16-10-12-6-8-13(9-7-12)19(21)22/h1-10,17H,11H2,(H,18,20)/b16-10-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 362.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6279022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).