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

C9H14BrN3O3S2 — CID 115748638

IUPAC2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O3S2/c1-2-17(14)4-3-13-18(15,16)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeySSLQBJGYSQWZHN-UHFFFAOYSA-N
MW356.27 g/mol
LogP0.47
Rot. Bonds6

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

2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide (PubChem CID 115748638) has the molecular formula C9H14BrN3O3S2 and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
PubChem CID115748638
Molecular FormulaC9H14BrN3O3S2
Molecular Weight356.27 g/mol
Exact Mass354.97
IUPAC Name2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H14BrN3O3S2/c1-2-17(14)4-3-13-18(15,16)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12)
InChIKeySSLQBJGYSQWZHN-UHFFFAOYSA-N
XLogP0.47
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 50.47
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-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide (CID 115748638) is 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide is CCS(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
The InChIKey is SSLQBJGYSQWZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O3S2/c1-2-17(14)4-3-13-18(15,16)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide has a molecular weight of 356.27 g/mol, XLogP of 0.47, 6 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-(2-ethylsulfinylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115748638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).