2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

C20H17IN2O3S — CID 1302991

IUPAC2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1
InChIInChI=1S/C20H17IN2O3S/c1-14-5-4-6-16(13-14)23-27(25,26)17-11-9-15(10-12-17)22-20(24)18-7-2-3-8-19(18)21/h2-13,23H,1H3,(H,22,24)
InChIKeyVJMAHDZVBZXUIG-UHFFFAOYSA-N
MW492.34 g/mol
LogP4.65
Rot. Bonds5

About 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1302991) has the molecular formula C20H17IN2O3S and a molecular weight of 492.34 g/mol. Its IUPAC name is 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID1302991
Molecular FormulaC20H17IN2O3S
Molecular Weight492.34 g/mol
Exact Mass492.00
IUPAC Name2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1
InChIInChI=1S/C20H17IN2O3S/c1-14-5-4-6-16(13-14)23-27(25,26)17-11-9-15(10-12-17)22-20(24)18-7-2-3-8-19(18)21/h2-13,23H,1H3,(H,22,24)
InChIKeyVJMAHDZVBZXUIG-UHFFFAOYSA-N
XLogP4.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.34
LogP ≤ 54.65
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-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-iodobenzamide
CID 126415096
2,3,4-trihydroxy-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 58626498
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 1089815
2-iodo-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1108217
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
N-[4-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-iodo-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5177255
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (CID 1302991) is 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)c1.
What is the InChIKey of 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is VJMAHDZVBZXUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O3S/c1-14-5-4-6-16(13-14)23-27(25,26)17-11-9-15(10-12-17)22-20(24)18-7-2-3-8-19(18)21/h2-13,23H,1H3,(H,22,24).
What are the key properties of 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 492.34 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1302991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).