5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

C13H22BrN3O3S — CID 79377760

IUPAC5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H22BrN3O3S/c1-5-6-15-12-11(7-10(14)8-16-12)21(19,20)17(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyVNEPIIHMMDNAJD-UHFFFAOYSA-N
MW380.31 g/mol
LogP2.06
Rot. Bonds7

About 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 79377760) has the molecular formula C13H22BrN3O3S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
PubChem CID79377760
Molecular FormulaC13H22BrN3O3S
Molecular Weight380.31 g/mol
Exact Mass379.06
IUPAC Name5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H22BrN3O3S/c1-5-6-15-12-11(7-10(14)8-16-12)21(19,20)17(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyVNEPIIHMMDNAJD-UHFFFAOYSA-N
XLogP2.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097
5-bromo-N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63963344
5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62143796
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62158891
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103464359
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-(propylamino)pyridine-3-sulfonamide
CID 79386348
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (CID 79377760) is 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is VNEPIIHMMDNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O3S/c1-5-6-15-12-11(7-10(14)8-16-12)21(19,20)17(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 380.31 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 79377760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).