N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide

C15H11ClFN3O2S — CID 67648184

IUPACN-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1ncc(F)c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClFN3O2S/c16-12-8-6-11(7-9-12)15-14(17)10-18-20(15)19-23(21,22)13-4-2-1-3-5-13/h1-10,19H
InChIKeyKSVBZVOSBJNFDD-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.28
Rot. Bonds4

About N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide

N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide (PubChem CID 67648184) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide
PubChem CID67648184
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1ncc(F)c1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClFN3O2S/c16-12-8-6-11(7-9-12)15-14(17)10-18-20(15)19-23(21,22)13-4-2-1-3-5-13/h1-10,19H
InChIKeyKSVBZVOSBJNFDD-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide (CID 67648184) is N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1ncc(F)c1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide?
The InChIKey is KSVBZVOSBJNFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-12-8-6-11(7-9-12)15-14(17)10-18-20(15)19-23(21,22)13-4-2-1-3-5-13/h1-10,19H.
What are the key properties of N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide?
N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide has a molecular weight of 351.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-4-fluoropyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67648184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).