N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

C12H11FN4O2S — CID 75485168

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C#N)cnn2C)ccc1F
InChIInChI=1S/C12H11FN4O2S/c1-8-5-10(3-4-11(8)13)20(18,19)16-12-9(6-14)7-15-17(12)2/h3-5,7,16H,1-2H3
InChIKeyRVPPDIDBBHFOHH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.54
Rot. Bonds3

About N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 75485168) has the molecular formula C12H11FN4O2S and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID75485168
Molecular FormulaC12H11FN4O2S
Molecular Weight294.31 g/mol
Exact Mass294.06
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C#N)cnn2C)ccc1F
InChIInChI=1S/C12H11FN4O2S/c1-8-5-10(3-4-11(8)13)20(18,19)16-12-9(6-14)7-15-17(12)2/h3-5,7,16H,1-2H3
InChIKeyRVPPDIDBBHFOHH-UHFFFAOYSA-N
XLogP1.54
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.54
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)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide (CID 75485168) is N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C#N)cnn2C)ccc1F.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is RVPPDIDBBHFOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2S/c1-8-5-10(3-4-11(8)13)20(18,19)16-12-9(6-14)7-15-17(12)2/h3-5,7,16H,1-2H3.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 294.31 g/mol, XLogP of 1.54, 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)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 75485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).