N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide

C12H14FN3O2S — CID 3852424

IUPACN-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H14FN3O2S/c1-3-16-12(6-7-14-16)15-19(17,18)11-8-10(13)5-4-9(11)2/h4-8,15H,3H2,1-2H3
InChIKeyROJLZNPAUBHCAJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.15
Rot. Bonds4

About N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 3852424) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID3852424
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCCn1nccc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C12H14FN3O2S/c1-3-16-12(6-7-14-16)15-19(17,18)11-8-10(13)5-4-9(11)2/h4-8,15H,3H2,1-2H3
InChIKeyROJLZNPAUBHCAJ-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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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
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
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 2808908
4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide
CID 3564237
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 19582053
N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 22201935
N-(1-ethylpyrazol-3-yl)-3-(methylsulfanylmethyl)benzenesulfonamide
CID 56731081

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 3852424) is N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide is CCn1nccc1NS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ROJLZNPAUBHCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-3-16-12(6-7-14-16)15-19(17,18)11-8-10(13)5-4-9(11)2/h4-8,15H,3H2,1-2H3.
What are the key properties of N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide 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-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 3852424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).