2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide

C11H11ClFN3O2S — CID 71850723

IUPAC2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C11H11ClFN3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyFVZZBLLLCLXMEH-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide

2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 71850723) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide
PubChem CID71850723
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C
InChIInChI=1S/C11H11ClFN3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H2,14,15,16)
InChIKeyFVZZBLLLCLXMEH-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide (CID 71850723) is 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide is Cc1[nH]nc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FVZZBLLLCLXMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-6-7(2)14-15-11(6)16-19(17,18)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H2,14,15,16).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide?
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71850723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).