2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide

C17H23N3O3S — CID 99798433

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCc1nn(C)cc1[C@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H23N3O3S/c1-12-16(11-20(3)18-12)13(2)19-24(21,22)9-7-14-4-5-17-15(10-14)6-8-23-17/h4-5,10-11,13,19H,6-9H2,1-3H3/t13-/m0/s1
InChIKeyQHLFJDVRHORTNX-ZDUSSCGKSA-N
MW349.46 g/mol
LogP1.89
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 99798433) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide
PubChem CID99798433
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCc1nn(C)cc1[C@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H23N3O3S/c1-12-16(11-20(3)18-12)13(2)19-24(21,22)9-7-14-4-5-17-15(10-14)6-8-23-17/h4-5,10-11,13,19H,6-9H2,1-3H3/t13-/m0/s1
InChIKeyQHLFJDVRHORTNX-ZDUSSCGKSA-N
XLogP1.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide (CID 99798433) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide is Cc1nn(C)cc1[C@H](C)NS(=O)(=O)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is QHLFJDVRHORTNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12-16(11-20(3)18-12)13(2)19-24(21,22)9-7-14-4-5-17-15(10-14)6-8-23-17/h4-5,10-11,13,19H,6-9H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.89, 6 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-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 99798433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).