3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

C11H11ClFN3O2S — CID 31913008

IUPAC3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C11H11ClFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3
InChIKeyWFYSUBIATWMQKR-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.50
Rot. Bonds4

About 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide

3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 31913008) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
PubChem CID31913008
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C11H11ClFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3
InChIKeyWFYSUBIATWMQKR-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide (CID 31913008) is 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is WFYSUBIATWMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-2-16-7-8(6-14-16)15-19(17,18)9-3-4-11(13)10(12)5-9/h3-7,15H,2H2,1H3.
What are the key properties of 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide?
3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 31913008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).