2-amino-N-(2,4-dibromophenyl)benzenesulfonamide

C12H10Br2N2O2S — CID 61471964

IUPAC2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H,15H2
InChIKeyULOXPSMRLPUPNL-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.59
Rot. Bonds3

About 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide

2-amino-N-(2,4-dibromophenyl)benzenesulfonamide (PubChem CID 61471964) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
PubChem CID61471964
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H,15H2
InChIKeyULOXPSMRLPUPNL-UHFFFAOYSA-N
XLogP3.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,4-dibromophenyl)-5-fluorobenzenesulfonamide
CID 61472212
2-amino-4-bromo-N-(2-bromo-4-chlorophenyl)benzenesulfonamide
CID 81262415
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
N-(5-amino-2-bromo-4-methylphenyl)-2-bromobenzenesulfonamide
CID 104814633
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-N-(2-methylsulfonylphenyl)benzenesulfonamide
CID 61108416
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
2-amino-N-(3-bromo-4-fluorophenyl)benzenesulfonamide
CID 104775446
2-amino-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 24707503
4-amino-2,6-dichloro-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471931
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide (CID 61471964) is 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide?
The InChIKey is ULOXPSMRLPUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c13-8-5-6-11(9(14)7-8)16-19(17,18)12-4-2-1-3-10(12)15/h1-7,16H,15H2.
What are the key properties of 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide?
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide has a molecular weight of 406.10 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 61471964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).