N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C12H14FN3O2S — CID 22209219

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C12H14FN3O2S/c1-3-16-8-12(9(2)14-16)15-19(17,18)11-6-4-10(13)5-7-11/h4-8,15H,3H2,1-2H3
InChIKeyGFXJIFUIIGWOIE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.15
Rot. Bonds4

About N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide

N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 22209219) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID22209219
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1
InChIInChI=1S/C12H14FN3O2S/c1-3-16-8-12(9(2)14-16)15-19(17,18)11-6-4-10(13)5-7-11/h4-8,15H,3H2,1-2H3
InChIKeyGFXJIFUIIGWOIE-UHFFFAOYSA-N
XLogP2.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 22209219) is N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(F)cc2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is GFXJIFUIIGWOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-3-16-8-12(9(2)14-16)15-19(17,18)11-6-4-10(13)5-7-11/h4-8,15H,3H2,1-2H3.
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22209219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).