N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

C15H11ClFN3O2S — CID 23209808

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

About N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide

N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209808) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209808
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1ncc(Cl)c1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H11ClFN3O2S/c16-14-10-18-20(15(14)11-6-8-12(17)9-7-11)19-23(21,22)13-4-2-1-3-5-13/h1-10,19H
InChIKeyCZRVZKKCPBXDPC-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-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 23209808) is N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1ncc(Cl)c1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CZRVZKKCPBXDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-14-10-18-20(15(14)11-6-8-12(17)9-7-11)19-23(21,22)13-4-2-1-3-5-13/h1-10,19H.
What are the key properties of N-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide?
N-[4-chloro-5-(4-fluorophenyl)pyrazol-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-[4-chloro-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).