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

C12H12BrN3O2S — CID 107584526

IUPAC4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-12(14)11(13)5-10/h2-7,16H,14H2,1H3
InChIKeySXSJSPLKOUUIIU-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.54
Rot. Bonds3

About 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide

4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107584526) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107584526
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(N)c(Br)c2)c1
InChIInChI=1S/C12H12BrN3O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-12(14)11(13)5-10/h2-7,16H,14H2,1H3
InChIKeySXSJSPLKOUUIIU-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

3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
4-amino-3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83167153

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107584526) is 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2ccc(N)c(Br)c2)c1.
What is the InChIKey of 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is SXSJSPLKOUUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-12(14)11(13)5-10/h2-7,16H,14H2,1H3.
What are the key properties of 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
4-amino-3-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 4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).