N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide

C15H14ClIN2O3S — CID 55771427

IUPACN-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)12-7-8-14(17)13(9-12)15(20)18-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20)
InChIKeySCWFMQRLDZMJLH-UHFFFAOYSA-N
MW464.71 g/mol
LogP3.45
Rot. Bonds4

About N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide

N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide (PubChem CID 55771427) has the molecular formula C15H14ClIN2O3S and a molecular weight of 464.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
PubChem CID55771427
Molecular FormulaC15H14ClIN2O3S
Molecular Weight464.71 g/mol
Exact Mass463.95
IUPAC NameN-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
SMILESCN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)12-7-8-14(17)13(9-12)15(20)18-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20)
InChIKeySCWFMQRLDZMJLH-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

2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
CID 30860063
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 47438537
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 9328773

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The IUPAC name of N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide (CID 55771427) is N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide is CN(C)S(=O)(=O)c1ccc(I)c(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The InChIKey is SCWFMQRLDZMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O3S/c1-19(2)23(21,22)12-7-8-14(17)13(9-12)15(20)18-11-5-3-10(16)4-6-11/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide 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 N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide is sourced from PubChem (CID 55771427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).