4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide

C15H14N4O4S — CID 6892615

IUPAC4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O4S/c16-24(22,23)14-9-7-13(8-10-14)18-17-11-3-5-12-4-1-2-6-15(12)19(20)21/h1-11,18H,(H2,16,22,23)/b5-3+,17-11+
InChIKeyORXCGXHVOYBNNM-PCKQUGLBSA-N
MW346.37 g/mol
LogP2.35
Rot. Bonds6

About 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide

4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide (PubChem CID 6892615) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
PubChem CID6892615
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N4O4S/c16-24(22,23)14-9-7-13(8-10-14)18-17-11-3-5-12-4-1-2-6-15(12)19(20)21/h1-11,18H,(H2,16,22,23)/b5-3+,17-11+
InChIKeyORXCGXHVOYBNNM-PCKQUGLBSA-N
XLogP2.35
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide (CID 6892615) is 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is ORXCGXHVOYBNNM-PCKQUGLBSA-N. The full InChI is InChI=1S/C15H14N4O4S/c16-24(22,23)14-9-7-13(8-10-14)18-17-11-3-5-12-4-1-2-6-15(12)19(20)21/h1-11,18H,(H2,16,22,23)/b5-3+,17-11+.
What are the key properties of 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide?
4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 6892615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).