4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C12H14FN3O2S — CID 110716621

IUPAC4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H14FN3O2S/c1-10-9-11(13)3-4-12(10)19(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8H2,1H3
InChIKeyWCXUIVGOSZKPHY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.31
Rot. Bonds5

About 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 110716621) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID110716621
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C12H14FN3O2S/c1-10-9-11(13)3-4-12(10)19(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8H2,1H3
InChIKeyWCXUIVGOSZKPHY-UHFFFAOYSA-N
XLogP1.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
4-fluoro-2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122290038
4-fluoro-2-methyl-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 86266436
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113082199
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
4-fluoro-2-methyl-N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]benzenesulfonamide
CID 119101281
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 110716621) is 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is WCXUIVGOSZKPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-10-9-11(13)3-4-12(10)19(17,18)15-6-8-16-7-2-5-14-16/h2-5,7,9,15H,6,8H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110716621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).