2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide

C16H21N3O3S — CID 99838928

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O3S/c1-19-15(4-8-17-19)5-9-18-23(20,21)11-7-13-2-3-16-14(12-13)6-10-22-16/h2-4,8,12,18H,5-7,9-11H2,1H3
InChIKeyWFFGUHPWIZXIJH-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.06
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide (PubChem CID 99838928) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
PubChem CID99838928
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
SMILESCn1nccc1CCNS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H21N3O3S/c1-19-15(4-8-17-19)5-9-18-23(20,21)11-7-13-2-3-16-14(12-13)6-10-22-16/h2-4,8,12,18H,5-7,9-11H2,1H3
InChIKeyWFFGUHPWIZXIJH-UHFFFAOYSA-N
XLogP1.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide 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 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide (CID 99838928) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide is Cn1nccc1CCNS(=O)(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
The InChIKey is WFFGUHPWIZXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19-15(4-8-17-19)5-9-18-23(20,21)11-7-13-2-3-16-14(12-13)6-10-22-16/h2-4,8,12,18H,5-7,9-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 99838928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).