5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole

C15H14N2O2S2 — CID 29029725

IUPAC5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)s1
InChIInChI=1S/C15H14N2O2S2/c1-2-21(18,19)15-7-6-14(20-15)12-5-3-4-11(10-12)13-8-9-16-17-13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyVTCXHHHRRNOTNW-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.60
Rot. Bonds4

About 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole

5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole (PubChem CID 29029725) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole
PubChem CID29029725
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole
SMILESCCS(=O)(=O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)s1
InChIInChI=1S/C15H14N2O2S2/c1-2-21(18,19)15-7-6-14(20-15)12-5-3-4-11(10-12)13-8-9-16-17-13/h3-10H,2H2,1H3,(H,16,17)
InChIKeyVTCXHHHRRNOTNW-UHFFFAOYSA-N
XLogP3.60
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole (CID 29029725) is 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole is CCS(=O)(=O)c1ccc(-c2cccc(-c3ccn[nH]3)c2)s1.
What is the InChIKey of 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole?
The InChIKey is VTCXHHHRRNOTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-2-21(18,19)15-7-6-14(20-15)12-5-3-4-11(10-12)13-8-9-16-17-13/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole?
5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole has a molecular weight of 318.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-ethylsulfonylthiophen-2-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 29029725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).