2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide

C15H14ClIN2O3S — CID 3413626

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)10-7-8-12(16)11(9-10)15(20)18-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyPSHWMYHRKDVDGL-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.45
Rot. Bonds4

About 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide

2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide (PubChem CID 3413626) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
PubChem CID3413626
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2I)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)10-7-8-12(16)11(9-10)15(20)18-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyPSHWMYHRKDVDGL-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.71
LogP ≤ 53.45
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

2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
2-chloro-5-(dimethylsulfamoyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 55362920
2,5-dichloro-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984214
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
CID 8797229
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide (CID 3413626) is 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2I)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide?
The InChIKey is PSHWMYHRKDVDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)10-7-8-12(16)11(9-10)15(20)18-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide has a molecular weight of 464.71 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide is sourced from PubChem (CID 3413626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).