3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide

C21H18IN3O4S — CID 2114640

IUPAC3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(I)cc3)cc2)c1
InChIInChI=1S/C21H18IN3O4S/c1-14(26)23-19-4-2-3-15(13-19)21(27)24-17-9-11-20(12-10-17)30(28,29)25-18-7-5-16(22)6-8-18/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyZWALTLJZIQFLEJ-UHFFFAOYSA-N
MW535.36 g/mol
LogP4.30
Rot. Bonds6

About 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide

3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 2114640) has the molecular formula C21H18IN3O4S and a molecular weight of 535.36 g/mol. Its IUPAC name is 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
PubChem CID2114640
Molecular FormulaC21H18IN3O4S
Molecular Weight535.36 g/mol
Exact Mass535.01
IUPAC Name3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(I)cc3)cc2)c1
InChIInChI=1S/C21H18IN3O4S/c1-14(26)23-19-4-2-3-15(13-19)21(27)24-17-9-11-20(12-10-17)30(28,29)25-18-7-5-16(22)6-8-18/h2-13,25H,1H3,(H,23,26)(H,24,27)
InChIKeyZWALTLJZIQFLEJ-UHFFFAOYSA-N
XLogP4.30
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.36
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 5167519
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide (CID 2114640) is 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(I)cc3)cc2)c1.
What is the InChIKey of 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is ZWALTLJZIQFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN3O4S/c1-14(26)23-19-4-2-3-15(13-19)21(27)24-17-9-11-20(12-10-17)30(28,29)25-18-7-5-16(22)6-8-18/h2-13,25H,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide?
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 535.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 2114640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).