N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide

C12H14BrIN2O3S — CID 47438537

IUPACN-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
SMILESC=C(Br)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I
InChIInChI=1S/C12H14BrIN2O3S/c1-8(13)7-15-12(17)10-6-9(4-5-11(10)14)20(18,19)16(2)3/h4-6H,1,7H2,2-3H3,(H,15,17)
InChIKeyWBPZXQPWZBMSET-UHFFFAOYSA-N
MW473.13 g/mol
LogP2.18
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide

N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide (PubChem CID 47438537) has the molecular formula C12H14BrIN2O3S and a molecular weight of 473.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
PubChem CID47438537
Molecular FormulaC12H14BrIN2O3S
Molecular Weight473.13 g/mol
Exact Mass471.90
IUPAC NameN-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
SMILESC=C(Br)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I
InChIInChI=1S/C12H14BrIN2O3S/c1-8(13)7-15-12(17)10-6-9(4-5-11(10)14)20(18,19)16(2)3/h4-6H,1,7H2,2-3H3,(H,15,17)
InChIKeyWBPZXQPWZBMSET-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
N-(2-bromoprop-2-enyl)-2-methyl-5-sulfamoylbenzamide
CID 47441864
6-(2-bromoprop-2-enylamino)-N,N-dimethylpyridine-3-sulfonamide
CID 113227585
5-(dimethylsulfamoyl)-N-ethyl-2-iodo-N-(2-methylphenyl)benzamide
CID 55775467
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide (CID 47438537) is N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide is C=C(Br)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
The InChIKey is WBPZXQPWZBMSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrIN2O3S/c1-8(13)7-15-12(17)10-6-9(4-5-11(10)14)20(18,19)16(2)3/h4-6H,1,7H2,2-3H3,(H,15,17).
What are the key properties of N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide?
N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide has a molecular weight of 473.13 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-(dimethylsulfamoyl)-2-iodobenzamide is sourced from PubChem (CID 47438537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).