4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine

C13H13BrN2O2S — CID 15410399

IUPAC4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(S(=O)(=O)c2ccccc2)cc(Br)n1
InChIInChI=1S/C13H13BrN2O2S/c1-16(2)13-9-11(8-12(14)15-13)19(17,18)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyPLUOVVVOGFGXFP-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.74
Rot. Bonds3

About 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine

4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine (PubChem CID 15410399) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine
PubChem CID15410399
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(S(=O)(=O)c2ccccc2)cc(Br)n1
InChIInChI=1S/C13H13BrN2O2S/c1-16(2)13-9-11(8-12(14)15-13)19(17,18)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyPLUOVVVOGFGXFP-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine (CID 15410399) is 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine is CN(C)c1cc(S(=O)(=O)c2ccccc2)cc(Br)n1.
What is the InChIKey of 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine?
The InChIKey is PLUOVVVOGFGXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-16(2)13-9-11(8-12(14)15-13)19(17,18)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine?
4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine has a molecular weight of 341.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-6-bromo-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 15410399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).