2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide

C12H12BrN3O2S2 — CID 22515886

IUPAC2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C12H12BrN3O2S2/c1-19-10-4-2-3-9(6-10)16-20(17,18)11-5-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeySTNUQTOMTJUIKX-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (PubChem CID 22515886) has the molecular formula C12H12BrN3O2S2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
PubChem CID22515886
Molecular FormulaC12H12BrN3O2S2
Molecular Weight374.29 g/mol
Exact Mass372.96
IUPAC Name2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
InChIInChI=1S/C12H12BrN3O2S2/c1-19-10-4-2-3-9(6-10)16-20(17,18)11-5-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15)
InChIKeySTNUQTOMTJUIKX-UHFFFAOYSA-N
XLogP2.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide (CID 22515886) is 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is CSc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1.
What is the InChIKey of 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
The InChIKey is STNUQTOMTJUIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S2/c1-19-10-4-2-3-9(6-10)16-20(17,18)11-5-8(13)7-15-12(11)14/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide has a molecular weight of 374.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).