5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide

C14H22BrN3O2S — CID 79703113

IUPAC5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3O2S/c1-2-7-18(11-12-3-5-16-6-4-12)21(19,20)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3
InChIKeyXQANTZVFMCGVPQ-UHFFFAOYSA-N
MW376.32 g/mol
LogP2.24
Rot. Bonds6

About 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide

5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide (PubChem CID 79703113) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
PubChem CID79703113
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CC1CCNCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3O2S/c1-2-7-18(11-12-3-5-16-6-4-12)21(19,20)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3
InChIKeyXQANTZVFMCGVPQ-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
CID 79701921
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
CID 114194238
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430
N-(piperidin-4-ylmethyl)-N-propylpropane-1-sulfonamide
CID 79716434
3-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 115328827
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
4-[[methylsulfamoyl(propyl)amino]methyl]piperidine
CID 114811132
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide (CID 79703113) is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide is CCCN(CC1CCNCC1)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide?
The InChIKey is XQANTZVFMCGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-2-7-18(11-12-3-5-16-6-4-12)21(19,20)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3.
What are the key properties of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide?
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 2.24, 6 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-ylmethyl)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 79703113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).