2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide

C11H8ClFN4O2S — CID 86803070

IUPAC2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2c(F)cccc2Cl)c1C#N
InChIInChI=1S/C11H8ClFN4O2S/c1-6-7(5-14)11(16-15-6)17-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyVZZVROUREMQYRP-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide

2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide (PubChem CID 86803070) has the molecular formula C11H8ClFN4O2S and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
PubChem CID86803070
Molecular FormulaC11H8ClFN4O2S
Molecular Weight314.73 g/mol
Exact Mass314.00
IUPAC Name2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2c(F)cccc2Cl)c1C#N
InChIInChI=1S/C11H8ClFN4O2S/c1-6-7(5-14)11(16-15-6)17-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H2,15,16,17)
InChIKeyVZZVROUREMQYRP-UHFFFAOYSA-N
XLogP2.18
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide (CID 86803070) is 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2c(F)cccc2Cl)c1C#N.
What is the InChIKey of 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
The InChIKey is VZZVROUREMQYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O2S/c1-6-7(5-14)11(16-15-6)17-20(18,19)10-8(12)3-2-4-9(10)13/h2-4H,1H3,(H2,15,16,17).
What are the key properties of 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide?
2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide has a molecular weight of 314.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 86803070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).