3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide

C12H9Br2ClN2O2S — CID 107596352

IUPAC3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Br)cccc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-10(15)11(16)6-7/h1-6,17H,16H2
InChIKeyMYDZKXYJCFPCPP-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.25
Rot. Bonds3

About 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide

3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide (PubChem CID 107596352) has the molecular formula C12H9Br2ClN2O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
PubChem CID107596352
Molecular FormulaC12H9Br2ClN2O2S
Molecular Weight440.54 g/mol
Exact Mass437.84
IUPAC Name3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Br)cccc2Br)ccc1Cl
InChIInChI=1S/C12H9Br2ClN2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-10(15)11(16)6-7/h1-6,17H,16H2
InChIKeyMYDZKXYJCFPCPP-UHFFFAOYSA-N
XLogP4.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.25
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

3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 43126278
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
2-amino-N-(2,6-dibromophenyl)pyridine-4-sulfonamide
CID 107603165
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-4-chloro-N-[2-(dimethylamino)phenyl]benzenesulfonamide
CID 106759376
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide (CID 107596352) is 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2c(Br)cccc2Br)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide?
The InChIKey is MYDZKXYJCFPCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)7-4-5-10(15)11(16)6-7/h1-6,17H,16H2.
What are the key properties of 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide is sourced from PubChem (CID 107596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).