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

C12H8Br3ClN2O2S — CID 43126278

IUPAC3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C12H8Br3ClN2O2S/c13-6-3-8(14)12(9(15)4-6)18-21(19,20)7-1-2-10(16)11(17)5-7/h1-5,18H,17H2
InChIKeyCZQBOXPLUXSVBE-UHFFFAOYSA-N
MW519.44 g/mol
LogP5.01
Rot. Bonds3

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

3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide (PubChem CID 43126278) has the molecular formula C12H8Br3ClN2O2S and a molecular weight of 519.44 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
PubChem CID43126278
Molecular FormulaC12H8Br3ClN2O2S
Molecular Weight519.44 g/mol
Exact Mass515.75
IUPAC Name3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)ccc1Cl
InChIInChI=1S/C12H8Br3ClN2O2S/c13-6-3-8(14)12(9(15)4-6)18-21(19,20)7-1-2-10(16)11(17)5-7/h1-5,18H,17H2
InChIKeyCZQBOXPLUXSVBE-UHFFFAOYSA-N
XLogP5.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.44
LogP ≤ 55.01
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

N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658
3-amino-4-chloro-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107596352
3-amino-N-(2-bromo-4,6-difluorophenyl)-4-chlorobenzenesulfonamide
CID 43347515
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
N-(4-amino-2,6-dibromophenyl)-4-bromobenzenesulfonamide
CID 43550498
N-(2-amino-4,6-dibromophenyl)-2,5-dichlorobenzenesulfonamide
CID 43550659
3-amino-4-chloro-N-phenylbenzenesulfonamide
CID 2873180

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide (CID 43126278) is 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide is Nc1cc(S(=O)(=O)Nc2c(Br)cc(Br)cc2Br)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide?
The InChIKey is CZQBOXPLUXSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3ClN2O2S/c13-6-3-8(14)12(9(15)4-6)18-21(19,20)7-1-2-10(16)11(17)5-7/h1-5,18H,17H2.
What are the key properties of 3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide?
3-amino-4-chloro-N-(2,4,6-tribromophenyl)benzenesulfonamide has a molecular weight of 519.44 g/mol, XLogP of 5.01, 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-(2,4,6-tribromophenyl)benzenesulfonamide is sourced from PubChem (CID 43126278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).