N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

C20H17IN2O3S — CID 126385456

IUPACN-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C20H17IN2O3S/c1-14-6-12-17(13-7-14)27(25,26)23-19-5-3-2-4-18(19)20(24)22-16-10-8-15(21)9-11-16/h2-13,23H,1H3,(H,22,24)
InChIKeyJMGMBQLHTAYGAP-UHFFFAOYSA-N
MW492.34 g/mol
LogP4.65
Rot. Bonds5

About N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126385456) has the molecular formula C20H17IN2O3S and a molecular weight of 492.34 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126385456
Molecular FormulaC20H17IN2O3S
Molecular Weight492.34 g/mol
Exact Mass492.00
IUPAC NameN-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C20H17IN2O3S/c1-14-6-12-17(13-7-14)27(25,26)23-19-5-3-2-4-18(19)20(24)22-16-10-8-15(21)9-11-16/h2-13,23H,1H3,(H,22,24)
InChIKeyJMGMBQLHTAYGAP-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-(difluoromethoxy)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 4785775
2-[(4-methylphenyl)sulfonylamino]-N-(6-phenyl-3-pyridinyl)benzamide
CID 70789372
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
CID 126415790
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25040510
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 126385456) is N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is JMGMBQLHTAYGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O3S/c1-14-6-12-17(13-7-14)27(25,26)23-19-5-3-2-4-18(19)20(24)22-16-10-8-15(21)9-11-16/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]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 N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126385456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).