N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide

C19H14BrIN2O3S — CID 100513322

IUPACN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(I)c1
InChIInChI=1S/C19H14BrIN2O3S/c20-14-4-6-17(7-5-14)23-27(25,26)18-10-8-16(9-11-18)22-19(24)13-2-1-3-15(21)12-13/h1-12,23H,(H,22,24)
InChIKeyOSIRRMMZGIOTRD-UHFFFAOYSA-N
MW557.21 g/mol
LogP5.11
Rot. Bonds5

About N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide

N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide (PubChem CID 100513322) has the molecular formula C19H14BrIN2O3S and a molecular weight of 557.21 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
PubChem CID100513322
Molecular FormulaC19H14BrIN2O3S
Molecular Weight557.21 g/mol
Exact Mass555.90
IUPAC NameN-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(I)c1
InChIInChI=1S/C19H14BrIN2O3S/c20-14-4-6-17(7-5-14)23-27(25,26)18-10-8-16(9-11-18)22-19(24)13-2-1-3-15(21)12-13/h1-12,23H,(H,22,24)
InChIKeyOSIRRMMZGIOTRD-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.21
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
N-[4-(tert-butylsulfamoyl)phenyl]-3-iodobenzamide
CID 1213253
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide (CID 100513322) is N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(I)c1.
What is the InChIKey of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide?
The InChIKey is OSIRRMMZGIOTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrIN2O3S/c20-14-4-6-17(7-5-14)23-27(25,26)18-10-8-16(9-11-18)22-19(24)13-2-1-3-15(21)12-13/h1-12,23H,(H,22,24).
What are the key properties of N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide?
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide has a molecular weight of 557.21 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 100513322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).