2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide

C9H14BrN3O2S — CID 6623864

IUPAC2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O2S/c1-3-13(4-2)16(14,15)8-5-7(10)6-12-9(8)11/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyMDVNYVCBQIIYAD-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide

2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide (PubChem CID 6623864) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide
PubChem CID6623864
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O2S/c1-3-13(4-2)16(14,15)8-5-7(10)6-12-9(8)11/h5-6H,3-4H2,1-2H3,(H2,11,12)
InChIKeyMDVNYVCBQIIYAD-UHFFFAOYSA-N
XLogP1.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide (CID 6623864) is 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MDVNYVCBQIIYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-3-13(4-2)16(14,15)8-5-7(10)6-12-9(8)11/h5-6H,3-4H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide?
2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 6623864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).