N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide

C11H9FN4O2S — CID 115744817

IUPACN-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-3-2-8(7-13)6-9(10)12/h2-6,15H,1H3
InChIKeyURBWXQMVDAHOKX-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.23
Rot. Bonds3

About N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide

N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 115744817) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
PubChem CID115744817
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC NameN-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-3-2-8(7-13)6-9(10)12/h2-6,15H,1H3
InChIKeyURBWXQMVDAHOKX-UHFFFAOYSA-N
XLogP1.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104709881
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
5-chloro-N-(4-cyano-2-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 103099977
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 166153747
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
3-fluoro-4-[(4-methylpiperazin-1-yl)amino]benzonitrile
CID 83016024
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
N-(4-cyano-2-fluorophenyl)-2-oxo-1,3-oxazolidine-3-sulfonamide
CID 168962959
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide (CID 115744817) is N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is URBWXQMVDAHOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)19(17,18)15-10-3-2-8(7-13)6-9(10)12/h2-6,15H,1H3.
What are the key properties of N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide?
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 280.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 115744817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).