3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

C12H8BrCl3N2O2S — CID 62956708

IUPAC3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H8BrCl3N2O2S/c13-12-10(17)4-8(16)5-11(12)21(19,20)18-9-2-6(14)1-7(15)3-9/h1-5,18H,17H2
InChIKeyWEAPTPGAPXPFBY-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.79
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide (PubChem CID 62956708) has the molecular formula C12H8BrCl3N2O2S and a molecular weight of 430.54 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
PubChem CID62956708
Molecular FormulaC12H8BrCl3N2O2S
Molecular Weight430.54 g/mol
Exact Mass427.86
IUPAC Name3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1Br
InChIInChI=1S/C12H8BrCl3N2O2S/c13-12-10(17)4-8(16)5-11(12)21(19,20)18-9-2-6(14)1-7(15)3-9/h1-5,18H,17H2
InChIKeyWEAPTPGAPXPFBY-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'}

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Related Compounds

3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 62956348
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
CID 55153657
3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-amino-2-bromo-5-chloro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 63997482
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
3-amino-2-bromo-5-chloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485255
N-[2-[(3-amino-2-bromo-5-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 62957416

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide (CID 62956708) is 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is WEAPTPGAPXPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3N2O2S/c13-12-10(17)4-8(16)5-11(12)21(19,20)18-9-2-6(14)1-7(15)3-9/h1-5,18H,17H2.
What are the key properties of 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)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 3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 62956708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).