N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide

C11H8F2N4O2S — CID 75356224

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N4O2S/c1-17-11(7(5-14)6-15-17)16-20(18,19)8-2-3-9(12)10(13)4-8/h2-4,6,16H,1H3
InChIKeyYSSLGXHEDKYNHH-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.37
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 75356224) has the molecular formula C11H8F2N4O2S and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide
PubChem CID75356224
Molecular FormulaC11H8F2N4O2S
Molecular Weight298.27 g/mol
Exact Mass298.03
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N4O2S/c1-17-11(7(5-14)6-15-17)16-20(18,19)8-2-3-9(12)10(13)4-8/h2-4,6,16H,1H3
InChIKeyYSSLGXHEDKYNHH-UHFFFAOYSA-N
XLogP1.37
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide (CID 75356224) is N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide is Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is YSSLGXHEDKYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O2S/c1-17-11(7(5-14)6-15-17)16-20(18,19)8-2-3-9(12)10(13)4-8/h2-4,6,16H,1H3.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 298.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 75356224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).