N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C12H11FN4O2S — CID 107327642

IUPACN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H11FN4O2S/c1-7-3-10(13)4-8(2)11(7)20(18,19)17-12-9(5-14)6-15-16-12/h3-4,6H,1-2H3,(H2,15,16,17)
InChIKeyPTRYCQOARJIYBM-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.84
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327642) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327642
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C12H11FN4O2S/c1-7-3-10(13)4-8(2)11(7)20(18,19)17-12-9(5-14)6-15-16-12/h3-4,6H,1-2H3,(H2,15,16,17)
InChIKeyPTRYCQOARJIYBM-UHFFFAOYSA-N
XLogP1.84
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327642) is N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is PTRYCQOARJIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c1-7-3-10(13)4-8(2)11(7)20(18,19)17-12-9(5-14)6-15-16-12/h3-4,6H,1-2H3,(H2,15,16,17).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 294.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).