4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide

C13H12Br2N2O2S — CID 82761297

IUPAC4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C13H12Br2N2O2S/c1-8-2-4-10(14)13(6-8)17-20(18,19)9-3-5-12(16)11(15)7-9/h2-7,17H,16H2,1H3
InChIKeyDPSIFSQIEBIMSI-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.90
Rot. Bonds3

About 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide

4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide (PubChem CID 82761297) has the molecular formula C13H12Br2N2O2S and a molecular weight of 420.13 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
PubChem CID82761297
Molecular FormulaC13H12Br2N2O2S
Molecular Weight420.13 g/mol
Exact Mass417.90
IUPAC Name4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Br)c(NS(=O)(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C13H12Br2N2O2S/c1-8-2-4-10(14)13(6-8)17-20(18,19)9-3-5-12(16)11(15)7-9/h2-7,17H,16H2,1H3
InChIKeyDPSIFSQIEBIMSI-UHFFFAOYSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.90
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

4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
N-(2-amino-5-methylphenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106605096
2-amino-N-(2-bromo-5-methylphenyl)pyridine-4-sulfonamide
CID 82758264
3-amino-4-bromo-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 115328714
2-amino-N-(2-bromo-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 82745864
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
6-amino-N-(2-bromo-5-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 82767078
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide (CID 82761297) is 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide is Cc1ccc(Br)c(NS(=O)(=O)c2ccc(N)c(Br)c2)c1.
What is the InChIKey of 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide?
The InChIKey is DPSIFSQIEBIMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2S/c1-8-2-4-10(14)13(6-8)17-20(18,19)9-3-5-12(16)11(15)7-9/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide?
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide has a molecular weight of 420.13 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 82761297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).