4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine

C18H19N3O2S2 — CID 71842267

IUPAC4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,18-7-4-12-24-18)20-10-8-15(9-11-20)16-13-19-21(14-16)17-5-2-1-3-6-17/h1-7,12-15H,8-11H2
InChIKeyRWIGFGNTTBTQJW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.50
Rot. Bonds4

About 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine

4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine (PubChem CID 71842267) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine
PubChem CID71842267
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine
SMILESO=S(=O)(c1cccs1)N1CCC(c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C18H19N3O2S2/c22-25(23,18-7-4-12-24-18)20-10-8-15(9-11-20)16-13-19-21(14-16)17-5-2-1-3-6-17/h1-7,12-15H,8-11H2
InChIKeyRWIGFGNTTBTQJW-UHFFFAOYSA-N
XLogP3.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine (CID 71842267) is 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine is O=S(=O)(c1cccs1)N1CCC(c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine?
The InChIKey is RWIGFGNTTBTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-25(23,18-7-4-12-24-18)20-10-8-15(9-11-20)16-13-19-21(14-16)17-5-2-1-3-6-17/h1-7,12-15H,8-11H2.
What are the key properties of 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine?
4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine has a molecular weight of 373.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-1-thiophen-2-ylsulfonylpiperidine is sourced from PubChem (CID 71842267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).