N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide

C13H13N3O3S — CID 102692634

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccn[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3O3S/c1-9(16-20(17,18)13-6-7-14-15-13)12-8-10-4-2-3-5-11(10)19-12/h2-9,16H,1H3,(H,14,15)
InChIKeyOKETZRDCKVJGLB-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide

N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692634) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692634
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccn[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C13H13N3O3S/c1-9(16-20(17,18)13-6-7-14-15-13)12-8-10-4-2-3-5-11(10)19-12/h2-9,16H,1H3,(H,14,15)
InChIKeyOKETZRDCKVJGLB-UHFFFAOYSA-N
XLogP2.20
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102692634) is N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is CC(NS(=O)(=O)c1ccn[nH]1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is OKETZRDCKVJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9(16-20(17,18)13-6-7-14-15-13)12-8-10-4-2-3-5-11(10)19-12/h2-9,16H,1H3,(H,14,15).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).