2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C10H8F3N3O2S — CID 17402540

IUPAC2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-16-5-4-8(14-16)15-19(17,18)7-3-2-6(11)9(12)10(7)13/h2-5H,1H3,(H,14,15)
InChIKeyVOVUVGCLEDERIR-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.64
Rot. Bonds3

About 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 17402540) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID17402540
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1
InChIInChI=1S/C10H8F3N3O2S/c1-16-5-4-8(14-16)15-19(17,18)7-3-2-6(11)9(12)10(7)13/h2-5H,1H3,(H,14,15)
InChIKeyVOVUVGCLEDERIR-UHFFFAOYSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.64
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 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 17402540) is 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)n1.
What is the InChIKey of 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VOVUVGCLEDERIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-16-5-4-8(14-16)15-19(17,18)7-3-2-6(11)9(12)10(7)13/h2-5H,1H3,(H,14,15).
What are the key properties of 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 291.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 17402540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).