2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide

C15H14INO3S — CID 146170024

IUPAC2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(C)cccc2[125I])cc1
InChIInChI=1S/C15H14INO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15(18)14-11(2)4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)/i16-2
InChIKeyUGLMTZSYXKRPJQ-RFLHHMENSA-N
MW413.25 g/mol
LogP3.03
Rot. Bonds3

About 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide

2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide (PubChem CID 146170024) has the molecular formula C15H14INO3S and a molecular weight of 413.25 g/mol. Its IUPAC name is 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide.

Molecular Properties

Compound Name2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
PubChem CID146170024
Molecular FormulaC15H14INO3S
Molecular Weight413.25 g/mol
Exact Mass412.97
IUPAC Name2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(C)cccc2[125I])cc1
InChIInChI=1S/C15H14INO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15(18)14-11(2)4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)/i16-2
InChIKeyUGLMTZSYXKRPJQ-RFLHHMENSA-N
XLogP3.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
2,6-dimethyl-N-methylsulfonylbenzamide;ethane
CID 170757170
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
[(4-methylphenyl)sulfonylamino] 2-methylbenzoate
CID 91412812
3-methyl-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide
CID 22921504
4-methyl-N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22441702
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714

Frequently Asked Questions

What is the IUPAC name of 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide?
The IUPAC name of 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide (CID 146170024) is 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide.
What is the SMILES notation for 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide?
The canonical SMILES for 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide is Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cccc2[125I])cc1.
What is the InChIKey of 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide?
The InChIKey is UGLMTZSYXKRPJQ-RFLHHMENSA-N. The full InChI is InChI=1S/C15H14INO3S/c1-10-6-8-12(9-7-10)21(19,20)17-15(18)14-11(2)4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)/i16-2.
What are the key properties of 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide?
2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide has a molecular weight of 413.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(125I)iodo-6-methyl-N-(4-methylphenyl)sulfonyl(125I)benzamide is sourced from PubChem (CID 146170024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).