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

C14H24BrN3O2S — CID 62143796

IUPAC5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)CC
InChIInChI=1S/C14H24BrN3O2S/c1-5-7-16-14-13(8-12(15)9-17-14)21(19,20)18(4)10-11(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,16,17)
InChIKeyAALAVGBLNDDDRL-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.33
Rot. Bonds8

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

5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62143796) has the molecular formula C14H24BrN3O2S and a molecular weight of 378.34 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62143796
Molecular FormulaC14H24BrN3O2S
Molecular Weight378.34 g/mol
Exact Mass377.08
IUPAC Name5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)CC
InChIInChI=1S/C14H24BrN3O2S/c1-5-7-16-14-13(8-12(15)9-17-14)21(19,20)18(4)10-11(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,16,17)
InChIKeyAALAVGBLNDDDRL-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxypropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62336097
5-bromo-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 79377760
5-bromo-N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63963344
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62158891
5-bromo-N,N-bis(cyanomethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62164035
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-methylpyridine-3-sulfonamide
CID 62145502
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
5-bromo-2-(ethylamino)-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 62158890
5-bromo-N-ethyl-N-(2-ethylbutyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61437324
5-bromo-N-(2-cyanoethyl)-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 55044408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide (CID 62143796) is 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)N(C)CC(C)CC.
What is the InChIKey of 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is AALAVGBLNDDDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2S/c1-5-7-16-14-13(8-12(15)9-17-14)21(19,20)18(4)10-11(3)6-2/h8-9,11H,5-7,10H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 378.34 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-methylbutyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62143796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).