4-[(4-iodophenyl)sulfonylamino]benzoate

C13H9INO4S- — CID 7312166

IUPAC4-[(4-iodophenyl)sulfonylamino]benzoate
SMILESO=C([O-])c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C13H10INO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)/p-1
InChIKeyYHCIAOWCNGYCHE-UHFFFAOYSA-M
MW402.19 g/mol
LogP1.46
Rot. Bonds4

About 4-[(4-iodophenyl)sulfonylamino]benzoate

4-[(4-iodophenyl)sulfonylamino]benzoate (PubChem CID 7312166) has the molecular formula C13H9INO4S- and a molecular weight of 402.19 g/mol. Its IUPAC name is 4-[(4-iodophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name4-[(4-iodophenyl)sulfonylamino]benzoate
PubChem CID7312166
Molecular FormulaC13H9INO4S-
Molecular Weight402.19 g/mol
Exact Mass401.93
IUPAC Name4-[(4-iodophenyl)sulfonylamino]benzoate
SMILESO=C([O-])c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C13H10INO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)/p-1
InChIKeyYHCIAOWCNGYCHE-UHFFFAOYSA-M
XLogP1.46
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-(phenylsulfamoyl)benzoate
CID 6997297
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
4-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 7040231
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)sulfonylamino]benzoate?
The IUPAC name of 4-[(4-iodophenyl)sulfonylamino]benzoate (CID 7312166) is 4-[(4-iodophenyl)sulfonylamino]benzoate.
What is the SMILES notation for 4-[(4-iodophenyl)sulfonylamino]benzoate?
The canonical SMILES for 4-[(4-iodophenyl)sulfonylamino]benzoate is O=C([O-])c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(4-iodophenyl)sulfonylamino]benzoate?
The InChIKey is YHCIAOWCNGYCHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10INO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)/p-1.
What are the key properties of 4-[(4-iodophenyl)sulfonylamino]benzoate?
4-[(4-iodophenyl)sulfonylamino]benzoate has a molecular weight of 402.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).