2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide

C11H15IN2O3S — CID 102685129

IUPAC2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C11H15IN2O3S/c1-8-4-3-5-9(10(8)12)11(15)14-6-7-18(16,17)13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyHBISYKVOBGJUTN-UHFFFAOYSA-N
MW382.22 g/mol
LogP0.88
Rot. Bonds5

About 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide

2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide (PubChem CID 102685129) has the molecular formula C11H15IN2O3S and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
PubChem CID102685129
Molecular FormulaC11H15IN2O3S
Molecular Weight382.22 g/mol
Exact Mass381.98
IUPAC Name2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C11H15IN2O3S/c1-8-4-3-5-9(10(8)12)11(15)14-6-7-18(16,17)13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyHBISYKVOBGJUTN-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 50.88
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-ethyl-2-iodo-3-methylbenzamide
CID 69076024
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
2-fluoro-N-[2-(methylsulfamoyl)ethyl]-3-(trifluoromethyl)benzamide
CID 102685069
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
2-iodo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 113265693
2-iodo-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47221536
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide (CID 102685129) is 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide is CNS(=O)(=O)CCNC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
The InChIKey is HBISYKVOBGJUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3S/c1-8-4-3-5-9(10(8)12)11(15)14-6-7-18(16,17)13-2/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide?
2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide has a molecular weight of 382.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 102685129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).