N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide

C11H12FN3O2S — CID 22209168

IUPACN-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyBSCCAFPXUYLHQD-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.84
Rot. Bonds4

About N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide

N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 22209168) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
PubChem CID22209168
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyBSCCAFPXUYLHQD-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
N-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzene-1-sulfonamide
CID 5014150
4-(tert-butyl)-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808927
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
2,5-Dibromo-n-(1-methyl-1h-pyrazol-3-yl)benzenesulfonamide
CID 8933112
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 22207461
n-(1,3-Dimethyl-1h-pyrazol-5-yl)-4-fluorobenzenesulfonamide
CID 35291251

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide (CID 22209168) is N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide is CCn1ccc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is BSCCAFPXUYLHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide?
N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22209168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).