2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

C10H16BrN3O4S — CID 62153874

IUPAC2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN3O4S/c1-14(5-8(15)6-18-2)19(16,17)9-3-7(11)4-13-10(9)12/h3-4,8,15H,5-6H2,1-2H3,(H2,12,13)
InChIKeyZMQVXRBGUZURCA-UHFFFAOYSA-N
MW354.23 g/mol
LogP0.05
Rot. Bonds6

About 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 62153874) has the molecular formula C10H16BrN3O4S and a molecular weight of 354.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
PubChem CID62153874
Molecular FormulaC10H16BrN3O4S
Molecular Weight354.23 g/mol
Exact Mass353.00
IUPAC Name2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H16BrN3O4S/c1-14(5-8(15)6-18-2)19(16,17)9-3-7(11)4-13-10(9)12/h3-4,8,15H,5-6H2,1-2H3,(H2,12,13)
InChIKeyZMQVXRBGUZURCA-UHFFFAOYSA-N
XLogP0.05
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (CID 62153874) is 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is ZMQVXRBGUZURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O4S/c1-14(5-8(15)6-18-2)19(16,17)9-3-7(11)4-13-10(9)12/h3-4,8,15H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 354.23 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 62153874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).