1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole

C14H12N2O2S2 — CID 71852739

IUPAC1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cc1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,14-7-4-8-19-14)11-12-9-15-16(10-12)13-5-2-1-3-6-13/h1-10H,11H2
InChIKeyHISKYGWJCSPLEI-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.91
Rot. Bonds4

About 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole

1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole (PubChem CID 71852739) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole.

Molecular Properties

Compound Name1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole
PubChem CID71852739
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cc1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C14H12N2O2S2/c17-20(18,14-7-4-8-19-14)11-12-9-15-16(10-12)13-5-2-1-3-6-13/h1-10H,11H2
InChIKeyHISKYGWJCSPLEI-UHFFFAOYSA-N
XLogP2.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole?
The IUPAC name of 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole (CID 71852739) is 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole.
What is the SMILES notation for 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole?
The canonical SMILES for 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole is O=S(=O)(Cc1cnn(-c2ccccc2)c1)c1cccs1.
What is the InChIKey of 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole?
The InChIKey is HISKYGWJCSPLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-20(18,14-7-4-8-19-14)11-12-9-15-16(10-12)13-5-2-1-3-6-13/h1-10H,11H2.
What are the key properties of 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole?
1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole has a molecular weight of 304.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(thiophen-2-ylsulfonylmethyl)pyrazole is sourced from PubChem (CID 71852739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).