5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H12BrN3O2S — CID 107584553

IUPAC5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(N)ccc2Br)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3
InChIKeyCEUQAMRSILFWSP-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide

5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107584553) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107584553
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cc(N)ccc2Br)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3
InChIKeyCEUQAMRSILFWSP-UHFFFAOYSA-N
XLogP2.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584508
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107584553) is 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2cc(N)ccc2Br)c1.
What is the InChIKey of 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is CEUQAMRSILFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-8-4-10(7-15-6-8)16-19(17,18)12-5-9(14)2-3-11(12)13/h2-7,16H,14H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107584553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).