3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide

C10H8BrClN4O2S — CID 55153657

IUPAC3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1Br
InChIInChI=1S/C10H8BrClN4O2S/c11-10-7(13)3-6(12)4-8(10)19(17,18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16)
InChIKeyGSMQEXWRKSJCSH-UHFFFAOYSA-N
MW363.62 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide

3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 55153657) has the molecular formula C10H8BrClN4O2S and a molecular weight of 363.62 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID55153657
Molecular FormulaC10H8BrClN4O2S
Molecular Weight363.62 g/mol
Exact Mass361.92
IUPAC Name3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1Br
InChIInChI=1S/C10H8BrClN4O2S/c11-10-7(13)3-6(12)4-8(10)19(17,18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16)
InChIKeyGSMQEXWRKSJCSH-UHFFFAOYSA-N
XLogP2.28
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.62
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-2-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 114379006
3-amino-2-bromo-N-(5-bromo-2-pyridinyl)-5-chlorobenzenesulfonamide
CID 62955473
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
3-amino-2-bromo-5-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 62956708
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
5-chloro-2-fluoro-3-(pyrazin-2-ylsulfamoyl)benzoic acid
CID 43616100
3-amino-2-bromo-5-chloro-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 62956348
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
3-amino-2,5,6-trimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 106503931
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide (CID 55153657) is 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)Nc2cnccn2)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is GSMQEXWRKSJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O2S/c11-10-7(13)3-6(12)4-8(10)19(17,18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16).
What are the key properties of 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide?
3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 363.62 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 55153657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).