5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole

C17H16N2O4S2 — CID 11036184

IUPAC5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole
SMILESC=C(C1(S(=O)(=O)c2ccccc2)CCN=N1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S2/c1-14(24(20,21)15-8-4-2-5-9-15)17(12-13-18-19-17)25(22,23)16-10-6-3-7-11-16/h2-11H,1,12-13H2
InChIKeyIRZIOGIONBJPSK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.00
Rot. Bonds5

About 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole

5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole (PubChem CID 11036184) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole
PubChem CID11036184
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole
SMILESC=C(C1(S(=O)(=O)c2ccccc2)CCN=N1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4S2/c1-14(24(20,21)15-8-4-2-5-9-15)17(12-13-18-19-17)25(22,23)16-10-6-3-7-11-16/h2-11H,1,12-13H2
InChIKeyIRZIOGIONBJPSK-UHFFFAOYSA-N
XLogP3.00
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole?
The IUPAC name of 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole (CID 11036184) is 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole?
The canonical SMILES for 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole is C=C(C1(S(=O)(=O)c2ccccc2)CCN=N1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole?
The InChIKey is IRZIOGIONBJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-14(24(20,21)15-8-4-2-5-9-15)17(12-13-18-19-17)25(22,23)16-10-6-3-7-11-16/h2-11H,1,12-13H2.
What are the key properties of 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole?
5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole has a molecular weight of 376.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-5-[1-(benzenesulfonyl)ethenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 11036184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).