N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

C11H13N3O2S — CID 21254903

IUPACN-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-9-8-11(13-12-9)14-17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13,14)
InChIKeyGZESIJRNNRUVQB-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.77
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 21254903) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID21254903
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C11H13N3O2S/c1-2-9-8-11(13-12-9)14-17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13,14)
InChIKeyGZESIJRNNRUVQB-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 21254903) is N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccccc2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is GZESIJRNNRUVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-9-8-11(13-12-9)14-17(15,16)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H2,12,13,14).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 21254903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).