N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide

C22H21IN2O3S — CID 3410606

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(I)c3)cc2)c(C)c1
InChIInChI=1S/C22H21IN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyZLGCXLBDNUVRHK-UHFFFAOYSA-N
MW520.39 g/mol
LogP5.27
Rot. Bonds5

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide (PubChem CID 3410606) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
PubChem CID3410606
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(I)c3)cc2)c(C)c1
InChIInChI=1S/C22H21IN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyZLGCXLBDNUVRHK-UHFFFAOYSA-N
XLogP5.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.39
LogP ≤ 55.27
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

3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-iodo-4-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 163720510
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide (CID 3410606) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(I)c3)cc2)c(C)c1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide?
The InChIKey is ZLGCXLBDNUVRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-14-4-11-21(16(3)12-14)25-29(27,28)19-9-7-18(8-10-19)24-22(26)17-6-5-15(2)20(23)13-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide has a molecular weight of 520.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide is sourced from PubChem (CID 3410606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).