N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide

C11H11ClFN3O2S — CID 22208804

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1cc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C11H11ClFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2
InChIKeyKZQIRTZEQRWTRM-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 22208804) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID22208804
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1cc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C11H11ClFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2
InChIKeyKZQIRTZEQRWTRM-UHFFFAOYSA-N
XLogP1.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide (CID 22208804) is N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCn1cc(Cl)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is KZQIRTZEQRWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c12-9-7-14-16(8-9)6-5-15-19(17,18)11-3-1-10(13)2-4-11/h1-4,7-8,15H,5-6H2.
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 303.75 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22208804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).