2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide

C13H11BrINO2S — CID 3513589

IUPAC2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H11BrINO2S/c1-9-8-10(15)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,1H3
InChIKeyIGAFRMLCXUHRKM-UHFFFAOYSA-N
MW452.11 g/mol
LogP4.16
Rot. Bonds3

About 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide

2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide (PubChem CID 3513589) has the molecular formula C13H11BrINO2S and a molecular weight of 452.11 g/mol. Its IUPAC name is 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
PubChem CID3513589
Molecular FormulaC13H11BrINO2S
Molecular Weight452.11 g/mol
Exact Mass450.87
IUPAC Name2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(I)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H11BrINO2S/c1-9-8-10(15)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,1H3
InChIKeyIGAFRMLCXUHRKM-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.11
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
N-(4-iodo-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104373
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
methyl 2-[(4-iodo-2-methylphenyl)sulfamoyl]benzoate
CID 5102720
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
N-(5-amino-2-methylphenyl)-2-bromobenzenesulfonamide
CID 28973446
4-bromo-2,6-dichloro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 60640804
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
2-chloro-4-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47154361
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-hydroxy-2-(4-iodo-2-methylanilino)benzenesulfonamide
CID 54081464

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide (CID 3513589) is 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide is Cc1cc(I)ccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
The InChIKey is IGAFRMLCXUHRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrINO2S/c1-9-8-10(15)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)14/h2-8,16H,1H3.
What are the key properties of 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide?
2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide has a molecular weight of 452.11 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3513589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).