N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide

C20H16ClIN2O3S — CID 3955566

IUPACN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1Cl
InChIInChI=1S/C20H16ClIN2O3S/c1-13-2-7-17(12-19(13)21)24-28(26,27)18-10-8-16(9-11-18)23-20(25)14-3-5-15(22)6-4-14/h2-12,24H,1H3,(H,23,25)
InChIKeyFCMDGHJAKZYLAT-UHFFFAOYSA-N
MW526.78 g/mol
LogP5.31
Rot. Bonds5

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

N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide (PubChem CID 3955566) has the molecular formula C20H16ClIN2O3S and a molecular weight of 526.78 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
PubChem CID3955566
Molecular FormulaC20H16ClIN2O3S
Molecular Weight526.78 g/mol
Exact Mass525.96
IUPAC NameN-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1Cl
InChIInChI=1S/C20H16ClIN2O3S/c1-13-2-7-17(12-19(13)21)24-28(26,27)18-10-8-16(9-11-18)23-20(25)14-3-5-15(22)6-4-14/h2-12,24H,1H3,(H,23,25)
InChIKeyFCMDGHJAKZYLAT-UHFFFAOYSA-N
XLogP5.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.78
LogP ≤ 55.31
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

4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
4-[(3-chloro-4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 30057456

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide?
The IUPAC name of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide (CID 3955566) is N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide?
The canonical SMILES for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(I)cc3)cc2)cc1Cl.
What is the InChIKey of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide?
The InChIKey is FCMDGHJAKZYLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClIN2O3S/c1-13-2-7-17(12-19(13)21)24-28(26,27)18-10-8-16(9-11-18)23-20(25)14-3-5-15(22)6-4-14/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide?
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide has a molecular weight of 526.78 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide is sourced from PubChem (CID 3955566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).