(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C15H18ClN3O4S — CID 120730947

IUPAC(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl
InChIInChI=1S/C15H17N3O4S.ClH/c1-23(20,21)14-5-4-13(22-14)15(19)18-8-7-17-10-12(18)11-3-2-6-16-9-11;/h2-6,9,12,17H,7-8,10H2,1H3;1H
InChIKeyLHYGEBHMFZWBBS-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.29
Rot. Bonds3

About (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120730947) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120730947
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl
InChIInChI=1S/C15H17N3O4S.ClH/c1-23(20,21)14-5-4-13(22-14)15(19)18-8-7-17-10-12(18)11-3-2-6-16-9-11;/h2-6,9,12,17H,7-8,10H2,1H3;1H
InChIKeyLHYGEBHMFZWBBS-UHFFFAOYSA-N
XLogP1.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)furan-3-sulfonamide;hydrochloride
CID 120729448
[2-(2-methoxyphenyl)piperazin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 120734197
[4-(difluoromethylsulfonylmethyl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729050
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729069
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142

Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120730947) is (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is CS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccnc2)o1.Cl.
What is the InChIKey of (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is LHYGEBHMFZWBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S.ClH/c1-23(20,21)14-5-4-13(22-14)15(19)18-8-7-17-10-12(18)11-3-2-6-16-9-11;/h2-6,9,12,17H,7-8,10H2,1H3;1H.
What are the key properties of (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
(5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 371.85 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120730947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).