4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

C23H20N4O5S — CID 92648462

IUPAC4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N4O5S/c1-2-16-26(33(31,32)21-9-4-3-5-10-21)20-14-12-18(13-15-20)23(28)25-24-17-19-8-6-7-11-22(19)27(29)30/h2-15,17H,1,16H2,(H,25,28)/b24-17-
InChIKeyZOQSVCNTMJATQD-ULJHMMPZSA-N
MW464.50 g/mol
LogP3.74
Rot. Bonds9

About 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 92648462) has the molecular formula C23H20N4O5S and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID92648462
Molecular FormulaC23H20N4O5S
Molecular Weight464.50 g/mol
Exact Mass464.12
IUPAC Name4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESC=CCN(c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H20N4O5S/c1-2-16-26(33(31,32)21-9-4-3-5-10-21)20-14-12-18(13-15-20)23(28)25-24-17-19-8-6-7-11-22(19)27(29)30/h2-15,17H,1,16H2,(H,25,28)/b24-17-
InChIKeyZOQSVCNTMJATQD-ULJHMMPZSA-N
XLogP3.74
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-benzylideneamino]benzamide
CID 92648429
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(3-bromophenyl)methylideneamino]benzamide
CID 92648442
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 126033173
N-[(2-nitrophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925685
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644415
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 43879026
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 124525683
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 136738042
2-[benzenesulfonyl(benzyl)amino]-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 2247598
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (CID 92648462) is 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is C=CCN(c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ZOQSVCNTMJATQD-ULJHMMPZSA-N. The full InChI is InChI=1S/C23H20N4O5S/c1-2-16-26(33(31,32)21-9-4-3-5-10-21)20-14-12-18(13-15-20)23(28)25-24-17-19-8-6-7-11-22(19)27(29)30/h2-15,17H,1,16H2,(H,25,28)/b24-17-.
What are the key properties of 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 464.50 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 92648462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).