N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide

C15H15IN2O3S — CID 1249872

IUPACN-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H15IN2O3S/c1-10-9-12(16)5-8-14(10)17-15(19)11-3-6-13(7-4-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIKRFCYLAYJCYIU-UHFFFAOYSA-N
MW430.27 g/mol
LogP3.22
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide

N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide (PubChem CID 1249872) has the molecular formula C15H15IN2O3S and a molecular weight of 430.27 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
PubChem CID1249872
Molecular FormulaC15H15IN2O3S
Molecular Weight430.27 g/mol
Exact Mass429.98
IUPAC NameN-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C15H15IN2O3S/c1-10-9-12(16)5-8-14(10)17-15(19)11-3-6-13(7-4-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIKRFCYLAYJCYIU-UHFFFAOYSA-N
XLogP3.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 53.22
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-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
methyl 3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 108767152
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062619
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide (CID 1249872) is N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide is Cc1cc(I)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
The InChIKey is IKRFCYLAYJCYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O3S/c1-10-9-12(16)5-8-14(10)17-15(19)11-3-6-13(7-4-11)18-22(2,20)21/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide?
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide has a molecular weight of 430.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 1249872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).