1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole

C17H14N2O3S — CID 2821368

IUPAC1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C17H14N2O3S/c20-23(21,15-4-2-1-3-5-15)19-10-8-16(18-19)13-6-7-17-14(12-13)9-11-22-17/h1-8,10,12H,9,11H2
InChIKeyYFSHEOBRTZRVFP-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.72
Rot. Bonds3

About 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole

1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole (PubChem CID 2821368) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole
PubChem CID2821368
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole
SMILESO=S(=O)(c1ccccc1)n1ccc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C17H14N2O3S/c20-23(21,15-4-2-1-3-5-15)19-10-8-16(18-19)13-6-7-17-14(12-13)9-11-22-17/h1-8,10,12H,9,11H2
InChIKeyYFSHEOBRTZRVFP-UHFFFAOYSA-N
XLogP2.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole (CID 2821368) is 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole is O=S(=O)(c1ccccc1)n1ccc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole?
The InChIKey is YFSHEOBRTZRVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-23(21,15-4-2-1-3-5-15)19-10-8-16(18-19)13-6-7-17-14(12-13)9-11-22-17/h1-8,10,12H,9,11H2.
What are the key properties of 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole?
1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole has a molecular weight of 326.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(2,3-dihydro-1-benzofuran-5-yl)pyrazole is sourced from PubChem (CID 2821368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).