1-(2-nitrophenyl)sulfonylpyrazole

C9H7N3O4S — CID 887245

IUPAC1-(2-nitrophenyl)sulfonylpyrazole
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)n1cccn1
InChIInChI=1S/C9H7N3O4S/c13-12(14)8-4-1-2-5-9(8)17(15,16)11-7-3-6-10-11/h1-7H
InChIKeyQSBFESOEAMCIGV-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.03
Rot. Bonds3

About 1-(2-nitrophenyl)sulfonylpyrazole

1-(2-nitrophenyl)sulfonylpyrazole (PubChem CID 887245) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is 1-(2-nitrophenyl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(2-nitrophenyl)sulfonylpyrazole
PubChem CID887245
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name1-(2-nitrophenyl)sulfonylpyrazole
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)n1cccn1
InChIInChI=1S/C9H7N3O4S/c13-12(14)8-4-1-2-5-9(8)17(15,16)11-7-3-6-10-11/h1-7H
InChIKeyQSBFESOEAMCIGV-UHFFFAOYSA-N
XLogP1.03
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)sulfonylpyrazole?
The IUPAC name of 1-(2-nitrophenyl)sulfonylpyrazole (CID 887245) is 1-(2-nitrophenyl)sulfonylpyrazole.
What is the SMILES notation for 1-(2-nitrophenyl)sulfonylpyrazole?
The canonical SMILES for 1-(2-nitrophenyl)sulfonylpyrazole is O=[N+]([O-])c1ccccc1S(=O)(=O)n1cccn1.
What is the InChIKey of 1-(2-nitrophenyl)sulfonylpyrazole?
The InChIKey is QSBFESOEAMCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c13-12(14)8-4-1-2-5-9(8)17(15,16)11-7-3-6-10-11/h1-7H.
What are the key properties of 1-(2-nitrophenyl)sulfonylpyrazole?
1-(2-nitrophenyl)sulfonylpyrazole has a molecular weight of 253.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)sulfonylpyrazole is sourced from PubChem (CID 887245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).