4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

C15H11ClFN3O2S — CID 90285817

IUPAC4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O2S/c16-11-1-7-14(8-2-11)23(21,22)19-15-9-10-18-20(15)13-5-3-12(17)4-6-13/h1-10,19H
InChIKeyJUPURURDYZDQFU-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.47
Rot. Bonds4

About 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 90285817) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID90285817
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC Name4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFN3O2S/c16-11-1-7-14(8-2-11)23(21,22)19-15-9-10-18-20(15)13-5-3-12(17)4-6-13/h1-10,19H
InChIKeyJUPURURDYZDQFU-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 90285817) is 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccnn1-c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is JUPURURDYZDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c16-11-1-7-14(8-2-11)23(21,22)19-15-9-10-18-20(15)13-5-3-12(17)4-6-13/h1-10,19H.
What are the key properties of 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 351.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 90285817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).