2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide

C10H14BrN3O3S — CID 113278224

IUPAC2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H14BrN3O3S/c1-14(8-2-3-17-6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyJDXWLFXMSZCVTN-UHFFFAOYSA-N
MW336.21 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide (PubChem CID 113278224) has the molecular formula C10H14BrN3O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
PubChem CID113278224
Molecular FormulaC10H14BrN3O3S
Molecular Weight336.21 g/mol
Exact Mass334.99
IUPAC Name2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C10H14BrN3O3S/c1-14(8-2-3-17-6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13)
InChIKeyJDXWLFXMSZCVTN-UHFFFAOYSA-N
XLogP0.84
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N,2-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99634312
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
5-amino-2-fluoro-N,4-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740574
2-amino-N-methyl-N-(oxolan-3-yl)pyridine-4-sulfonamide
CID 82743975
5-bromo-3-(chloromethyl)-2-fluoro-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745729
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
2-bromo-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82746071
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463
4-amino-2-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82740986

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide (CID 113278224) is 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide is CN(C1CCOC1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is JDXWLFXMSZCVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O3S/c1-14(8-2-3-17-6-8)18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8H,2-3,6H2,1H3,(H2,12,13).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 336.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 113278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).