4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine

C12H12BrN3O2S — CID 11024311

IUPAC4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(Br)n1
InChIInChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVQGXDKWYDBXYNK-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.30
Rot. Bonds3

About 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine

4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine (PubChem CID 11024311) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine
PubChem CID11024311
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine
SMILESCNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(Br)n1
InChIInChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16)
InChIKeyVQGXDKWYDBXYNK-UHFFFAOYSA-N
XLogP2.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine (CID 11024311) is 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine is CNc1cc(S(=O)(=O)c2ccc(N)cc2)cc(Br)n1.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine?
The InChIKey is VQGXDKWYDBXYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-15-12-7-10(6-11(13)16-12)19(17,18)9-4-2-8(14)3-5-9/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine?
4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine has a molecular weight of 342.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-6-bromo-N-methylpyridin-2-amine is sourced from PubChem (CID 11024311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).