N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide

C24H18N2O5S — CID 162648301

IUPACN-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide
SMILESO=C(N/N=C(\CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C24H18N2O5S/c27-23(17-9-3-1-4-10-17)26-25-21(16-32(29,30)19-12-5-2-6-13-19)20-15-18-11-7-8-14-22(18)31-24(20)28/h1-15H,16H2,(H,26,27)/b25-21+
InChIKeyAONDWTZRLCVVRF-NJNXFGOHSA-N
MW446.48 g/mol
LogP3.40
Rot. Bonds6

About N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide

N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide (PubChem CID 162648301) has the molecular formula C24H18N2O5S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide
PubChem CID162648301
Molecular FormulaC24H18N2O5S
Molecular Weight446.48 g/mol
Exact Mass446.09
IUPAC NameN-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide
SMILESO=C(N/N=C(\CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C24H18N2O5S/c27-23(17-9-3-1-4-10-17)26-25-21(16-32(29,30)19-12-5-2-6-13-19)20-15-18-11-7-8-14-22(18)31-24(20)28/h1-15H,16H2,(H,26,27)/b25-21+
InChIKeyAONDWTZRLCVVRF-NJNXFGOHSA-N
XLogP3.40
TPSA105.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzhydrylideneamino)-2-oxochromene-3-carboxamide
CID 18284060
4-[(2E)-2-[2-(benzenesulfonyl)-1-(6-bromo-2-oxochromen-3-yl)ethylidene]hydrazinyl]benzenesulfonamide
CID 162395139
2-oxochromene-3-carboxylic acid
CID 161011590
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-[(Z)-[[(4-chlorophenyl)diazenyl]-phenylmethylidene]amino]-2-oxochromene-3-carboxamide
CID 135517452
N-[(Z)-1-[7-(diethylamino)-2-oxochromen-3-yl]ethylideneamino]benzamide
CID 5452614
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
3-methyl-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 9464399
[amino-(2-oxochromen-3-yl)methylidene]-[(4-chlorobenzoyl)amino]azanium
CID 4099001
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-4-sulfamoylbenzamide
CID 163360864
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide
CID 9293863
3-[(2-oxochromene-3-carbonyl)amino]propyl benzoate
CID 19189384

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide (CID 162648301) is N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide is O=C(N/N=C(\CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide?
The InChIKey is AONDWTZRLCVVRF-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H18N2O5S/c27-23(17-9-3-1-4-10-17)26-25-21(16-32(29,30)19-12-5-2-6-13-19)20-15-18-11-7-8-14-22(18)31-24(20)28/h1-15H,16H2,(H,26,27)/b25-21+.
What are the key properties of N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide?
N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide has a molecular weight of 446.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(benzenesulfonyl)-1-(2-oxochromen-3-yl)ethylidene]amino]benzamide is sourced from PubChem (CID 162648301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).