1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole

C17H16N2O3S — CID 3799501

IUPAC1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole
SMILESCC(Oc1ccccc1)c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-14(22-15-8-4-2-5-9-15)17-12-13-18-19(17)23(20,21)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyHYAKUPWZFHYHNE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.26
Rot. Bonds5

About 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole

1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole (PubChem CID 3799501) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole
PubChem CID3799501
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole
SMILESCC(Oc1ccccc1)c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-14(22-15-8-4-2-5-9-15)17-12-13-18-19(17)23(20,21)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyHYAKUPWZFHYHNE-UHFFFAOYSA-N
XLogP3.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole (CID 3799501) is 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole is CC(Oc1ccccc1)c1ccnn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole?
The InChIKey is HYAKUPWZFHYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-14(22-15-8-4-2-5-9-15)17-12-13-18-19(17)23(20,21)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole?
1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole has a molecular weight of 328.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(1-phenoxyethyl)pyrazole is sourced from PubChem (CID 3799501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).