5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

C13H22BrN3O3S — CID 62158891

IUPAC5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC
InChIInChI=1S/C13H22BrN3O3S/c1-5-6-15-13-12(7-11(14)8-16-13)21(18,19)17(3)10(2)9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyAUOHAPPTKMDGEY-UHFFFAOYSA-N
MW380.31 g/mol
LogP2.32
Rot. Bonds8

About 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide

5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62158891) has the molecular formula C13H22BrN3O3S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62158891
Molecular FormulaC13H22BrN3O3S
Molecular Weight380.31 g/mol
Exact Mass379.06
IUPAC Name5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC
InChIInChI=1S/C13H22BrN3O3S/c1-5-6-15-13-12(7-11(14)8-16-13)21(18,19)17(3)10(2)9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyAUOHAPPTKMDGEY-UHFFFAOYSA-N
XLogP2.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide (CID 62158891) is 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(Br)cc1S(=O)(=O)N(C)C(C)COC.
What is the InChIKey of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is AUOHAPPTKMDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O3S/c1-5-6-15-13-12(7-11(14)8-16-13)21(18,19)17(3)10(2)9-20-4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide?
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 380.31 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62158891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).