2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide

C18H26N4O3S — CID 131938790

IUPAC2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
SMILESCCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1
InChIInChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3
InChIKeyAUIIWWFBPPYDIY-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.03
Rot. Bonds7

About 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide

2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide (PubChem CID 131938790) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
PubChem CID131938790
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide
SMILESCCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1
InChIInChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3
InChIKeyAUIIWWFBPPYDIY-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide (CID 131938790) is 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide is CCCN1CCCC(NS(=O)(=O)c2cc(-n3cccn3)ccc2OC)C1.
What is the InChIKey of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is AUIIWWFBPPYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-3-10-21-11-4-6-15(14-21)20-26(23,24)18-13-16(7-8-17(18)25-2)22-12-5-9-19-22/h5,7-9,12-13,15,20H,3-4,6,10-11,14H2,1-2H3.
What are the key properties of 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide?
2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-propylpiperidin-3-yl)-5-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 131938790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).