N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide

C11H12FN3O2S — CID 104620974

IUPACN-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-4-9(12)6-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeySXMZAXHAAWAJJJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.91
Rot. Bonds4

About N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide

N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide (PubChem CID 104620974) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
PubChem CID104620974
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide
SMILESCCc1cn[nH]c1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H12FN3O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-4-9(12)6-10/h3-7H,2H2,1H3,(H2,13,14,15)
InChIKeySXMZAXHAAWAJJJ-UHFFFAOYSA-N
XLogP1.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-3-methylbenzenesulfonamide
CID 113433884
N-(4-ethyl-1H-pyrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 104621164
N-(4-ethyl-1H-pyrazol-5-yl)-5-fluoropyridine-3-sulfonamide
CID 113433882
3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617664
N-(4-ethyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 104621163
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617220
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
3-amino-N-(4-ethyl-1H-pyrazol-5-yl)-4-hydroxybenzenesulfonamide
CID 104617188
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 79496945
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide (CID 104620974) is N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide is CCc1cn[nH]c1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide?
The InChIKey is SXMZAXHAAWAJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-2-8-7-13-14-11(8)15-18(16,17)10-5-3-4-9(12)6-10/h3-7H,2H2,1H3,(H2,13,14,15).
What are the key properties of N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide?
N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1H-pyrazol-5-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 104620974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).