4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide

C17H24N4O3S — CID 131912080

IUPAC4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC(C)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-14(16-6-3-4-7-17(16)21-11-5-10-18-21)19-25(22,23)20-12-8-15(24-2)9-13-20/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3
InChIKeyAQKGFYNVYDNCNM-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.88
Rot. Bonds6

About 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide

4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide (PubChem CID 131912080) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
PubChem CID131912080
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide
SMILESCOC1CCN(S(=O)(=O)NC(C)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C17H24N4O3S/c1-14(16-6-3-4-7-17(16)21-11-5-10-18-21)19-25(22,23)20-12-8-15(24-2)9-13-20/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3
InChIKeyAQKGFYNVYDNCNM-UHFFFAOYSA-N
XLogP1.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide (CID 131912080) is 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide is COC1CCN(S(=O)(=O)NC(C)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide?
The InChIKey is AQKGFYNVYDNCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-14(16-6-3-4-7-17(16)21-11-5-10-18-21)19-25(22,23)20-12-8-15(24-2)9-13-20/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3.
What are the key properties of 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide?
4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 131912080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).