5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C12H8BrCl3N2O2S — CID 65202232

IUPAC5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H8BrCl3N2O2S/c13-7-2-1-6(17)3-12(7)21(19,20)18-11-5-9(15)8(14)4-10(11)16/h1-5,18H,17H2
InChIKeyUQXOTSGWDAXBCA-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.79
Rot. Bonds3

About 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide

5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 65202232) has the molecular formula C12H8BrCl3N2O2S and a molecular weight of 430.54 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID65202232
Molecular FormulaC12H8BrCl3N2O2S
Molecular Weight430.54 g/mol
Exact Mass427.86
IUPAC Name5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C12H8BrCl3N2O2S/c13-7-2-1-6(17)3-12(7)21(19,20)18-11-5-9(15)8(14)4-10(11)16/h1-5,18H,17H2
InChIKeyUQXOTSGWDAXBCA-UHFFFAOYSA-N
XLogP4.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-2-bromo-N-(2-fluorophenyl)benzenesulfonamide
CID 65201946
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N-(2-cyanophenyl)benzenesulfonamide
CID 65201755
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 65202232) is 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is UQXOTSGWDAXBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3N2O2S/c13-7-2-1-6(17)3-12(7)21(19,20)18-11-5-9(15)8(14)4-10(11)16/h1-5,18H,17H2.
What are the key properties of 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 430.54 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 65202232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).