4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

C15H14ClIN2O4S — CID 27666744

IUPAC4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2I)ccc1Cl
InChIInChI=1S/C15H14ClIN2O4S/c1-19(23-2)24(21,22)14-9-10(7-8-11(14)16)15(20)18-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyGCLITAVQRLVLRY-UHFFFAOYSA-N
MW480.71 g/mol
LogP3.38
Rot. Bonds5

About 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide

4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 27666744) has the molecular formula C15H14ClIN2O4S and a molecular weight of 480.71 g/mol. Its IUPAC name is 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID27666744
Molecular FormulaC15H14ClIN2O4S
Molecular Weight480.71 g/mol
Exact Mass479.94
IUPAC Name4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2I)ccc1Cl
InChIInChI=1S/C15H14ClIN2O4S/c1-19(23-2)24(21,22)14-9-10(7-8-11(14)16)15(20)18-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyGCLITAVQRLVLRY-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949
4-chloro-N-[2-(2-chlorophenoxy)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 37348272
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55981489
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 27666744) is 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2I)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is GCLITAVQRLVLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O4S/c1-19(23-2)24(21,22)14-9-10(7-8-11(14)16)15(20)18-13-6-4-3-5-12(13)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide?
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 480.71 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 27666744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).