2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide

C28H24IN3O3S — CID 43878893

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C28H24IN3O3S/c1-21(23-13-10-14-24(29)19-23)30-31-28(33)26-17-8-9-18-27(26)32(20-22-11-4-2-5-12-22)36(34,35)25-15-6-3-7-16-25/h2-19H,20H2,1H3,(H,31,33)/b30-21+
InChIKeyRUODFZUJSMEISI-MWAVMZGNSA-N
MW609.49 g/mol
LogP5.84
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide

2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide (PubChem CID 43878893) has the molecular formula C28H24IN3O3S and a molecular weight of 609.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
PubChem CID43878893
Molecular FormulaC28H24IN3O3S
Molecular Weight609.49 g/mol
Exact Mass609.06
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1
InChIInChI=1S/C28H24IN3O3S/c1-21(23-13-10-14-24(29)19-23)30-31-28(33)26-17-8-9-18-27(26)32(20-22-11-4-2-5-12-22)36(34,35)25-15-6-3-7-16-25/h2-19H,20H2,1H3,(H,31,33)/b30-21+
InChIKeyRUODFZUJSMEISI-MWAVMZGNSA-N
XLogP5.84
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(Z)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 6103783
N-[(Z)-1-(3-benzamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 98123917
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]benzamide
CID 43879006
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1278302
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
CID 21372596
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 98093167
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878752

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide (CID 43878893) is 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide?
The InChIKey is RUODFZUJSMEISI-MWAVMZGNSA-N. The full InChI is InChI=1S/C28H24IN3O3S/c1-21(23-13-10-14-24(29)19-23)30-31-28(33)26-17-8-9-18-27(26)32(20-22-11-4-2-5-12-22)36(34,35)25-15-6-3-7-16-25/h2-19H,20H2,1H3,(H,31,33)/b30-21+.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide has a molecular weight of 609.49 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 43878893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).