2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

C14H14N2O2S2 — CID 4299203

IUPAC2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C14H14N2O2S2/c1-20(17,18)16-13(14-8-5-9-19-14)10-12(15-16)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3
InChIKeyNSSOCSRIQXYOLT-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.86
Rot. Bonds3

About 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole

2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 4299203) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID4299203
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccs1
InChIInChI=1S/C14H14N2O2S2/c1-20(17,18)16-13(14-8-5-9-19-14)10-12(15-16)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3
InChIKeyNSSOCSRIQXYOLT-UHFFFAOYSA-N
XLogP2.86
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 4299203) is 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccccc2)CC1c1cccs1.
What is the InChIKey of 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is NSSOCSRIQXYOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-20(17,18)16-13(14-8-5-9-19-14)10-12(15-16)11-6-3-2-4-7-11/h2-9,13H,10H2,1H3.
What are the key properties of 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole?
2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 306.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 4299203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).