4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide

C14H13IN2O3S — CID 26781170

IUPAC4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O3S/c1-16-14(18)10-6-8-11(9-7-10)21(19,20)17-13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyLPAYCUHHLSJEGO-UHFFFAOYSA-N
MW416.24 g/mol
LogP2.45
Rot. Bonds4

About 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide

4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 26781170) has the molecular formula C14H13IN2O3S and a molecular weight of 416.24 g/mol. Its IUPAC name is 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID26781170
Molecular FormulaC14H13IN2O3S
Molecular Weight416.24 g/mol
Exact Mass415.97
IUPAC Name4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2I)cc1
InChIInChI=1S/C14H13IN2O3S/c1-16-14(18)10-6-8-11(9-7-10)21(19,20)17-13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18)
InChIKeyLPAYCUHHLSJEGO-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 52.45
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-(2-iodophenyl)benzenesulfonamide
CID 632219
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
N-methyl-4-[(2-thiophen-2-ylphenyl)sulfamoyl]benzamide
CID 17467119
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
CID 171762168
CID 171762168
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
4-[(2-iodophenyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919999
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide (CID 26781170) is 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2I)cc1.
What is the InChIKey of 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is LPAYCUHHLSJEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O3S/c1-16-14(18)10-6-8-11(9-7-10)21(19,20)17-13-5-3-2-4-12(13)15/h2-9,17H,1H3,(H,16,18).
What are the key properties of 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide?
4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 416.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 26781170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).