4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide

C15H19N3O4S — CID 166331946

IUPAC4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O4S/c1-21-14-10-22-11-15(14)23(19,20)17-9-12-3-5-13(6-4-12)18-8-2-7-16-18/h2-8,14-15,17H,9-11H2,1H3
InChIKeyAADHNLVIQGOLMK-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.71
Rot. Bonds6

About 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide

4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide (PubChem CID 166331946) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide
PubChem CID166331946
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide
SMILESCOC1COCC1S(=O)(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3O4S/c1-21-14-10-22-11-15(14)23(19,20)17-9-12-3-5-13(6-4-12)18-8-2-7-16-18/h2-8,14-15,17H,9-11H2,1H3
InChIKeyAADHNLVIQGOLMK-UHFFFAOYSA-N
XLogP0.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
CID 82714540
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 25292872
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide?
The IUPAC name of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide (CID 166331946) is 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide is COC1COCC1S(=O)(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide?
The InChIKey is AADHNLVIQGOLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-21-14-10-22-11-15(14)23(19,20)17-9-12-3-5-13(6-4-12)18-8-2-7-16-18/h2-8,14-15,17H,9-11H2,1H3.
What are the key properties of 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide?
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 166331946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).