2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide

C14H19N3O3S — CID 71985566

IUPAC2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O3S/c1-12(16-21(18,19)10-9-20-2)13-5-3-6-14(11-13)17-8-4-7-15-17/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyGJSXGPIWNMKWQD-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.50
Rot. Bonds7

About 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide

2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide (PubChem CID 71985566) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide
PubChem CID71985566
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C14H19N3O3S/c1-12(16-21(18,19)10-9-20-2)13-5-3-6-14(11-13)17-8-4-7-15-17/h3-8,11-12,16H,9-10H2,1-2H3
InChIKeyGJSXGPIWNMKWQD-UHFFFAOYSA-N
XLogP1.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide (CID 71985566) is 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide is COCCS(=O)(=O)NC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide?
The InChIKey is GJSXGPIWNMKWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-12(16-21(18,19)10-9-20-2)13-5-3-6-14(11-13)17-8-4-7-15-17/h3-8,11-12,16H,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide?
2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(3-pyrazol-1-ylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 71985566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).