N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide

C11H10F3N3O2S — CID 3827543

IUPACN-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3N3O2S/c1-2-17-9(5-6-15-17)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-6,16H,2H2,1H3
InChIKeyPQUPHZSZMJFFDS-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.12
Rot. Bonds4

About N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide

N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide (PubChem CID 3827543) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
PubChem CID3827543
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3N3O2S/c1-2-17-9(5-6-15-17)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-6,16H,2H2,1H3
InChIKeyPQUPHZSZMJFFDS-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide (CID 3827543) is N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide is CCn1nccc1NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is PQUPHZSZMJFFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-2-17-9(5-6-15-17)16-20(18,19)8-4-3-7(12)10(13)11(8)14/h3-6,16H,2H2,1H3.
What are the key properties of N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide?
N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 3827543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).