5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride

C13H21BrClN3O2S — CID 119994034

IUPAC5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl
InChIInChI=1S/C13H20BrN3O2S.ClH/c1-2-7-17(12-3-5-15-6-4-12)20(18,19)13-8-11(14)9-16-10-13;/h8-10,12,15H,2-7H2,1H3;1H
InChIKeyVIZPGGFOBPIIFQ-UHFFFAOYSA-N
MW398.75 g/mol
LogP2.42
Rot. Bonds5

About 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride

5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride (PubChem CID 119994034) has the molecular formula C13H21BrClN3O2S and a molecular weight of 398.75 g/mol. Its IUPAC name is 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
PubChem CID119994034
Molecular FormulaC13H21BrClN3O2S
Molecular Weight398.75 g/mol
Exact Mass397.02
IUPAC Name5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl
InChIInChI=1S/C13H20BrN3O2S.ClH/c1-2-7-17(12-3-5-15-6-4-12)20(18,19)13-8-11(14)9-16-10-13;/h8-10,12,15H,2-7H2,1H3;1H
InChIKeyVIZPGGFOBPIIFQ-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
CID 79703113
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
CID 79701921
3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120712674
3-bromo-5-cyano-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993659
5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 78982765
5-bromo-2,4-difluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993959
3-bromo-5-cyano-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976364
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
5-bromo-4-fluoro-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712618

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride (CID 119994034) is 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1cncc(Br)c1.Cl.
What is the InChIKey of 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride?
The InChIKey is VIZPGGFOBPIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S.ClH/c1-2-7-17(12-3-5-15-6-4-12)20(18,19)13-8-11(14)9-16-10-13;/h8-10,12,15H,2-7H2,1H3;1H.
What are the key properties of 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride?
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride has a molecular weight of 398.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride is sourced from PubChem (CID 119994034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).