1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

C16H17N3O2S2 — CID 71808164

IUPAC1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,13-14-5-2-1-3-6-14)17-9-11-19-10-8-15(18-19)16-7-4-12-22-16/h1-8,10,12,17H,9,11,13H2
InChIKeyBSCRKYHNQPRZNY-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.73
Rot. Bonds7

About 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 71808164) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID71808164
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC Name1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C16H17N3O2S2/c20-23(21,13-14-5-2-1-3-6-14)17-9-11-19-10-8-15(18-19)16-7-4-12-22-16/h1-8,10,12,17H,9,11,13H2
InChIKeyBSCRKYHNQPRZNY-UHFFFAOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 71808164) is 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is BSCRKYHNQPRZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c20-23(21,13-14-5-2-1-3-6-14)17-9-11-19-10-8-15(18-19)16-7-4-12-22-16/h1-8,10,12,17H,9,11,13H2.
What are the key properties of 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 347.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71808164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).