N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H11F4N3O2S — CID 23209774

IUPACN-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H11F4N3O2S/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-23(14)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H
InChIKeyIJXZUPJCILWRSY-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.64
Rot. Bonds4

About N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 23209774) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID23209774
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC NameN-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H11F4N3O2S/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-23(14)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H
InChIKeyIJXZUPJCILWRSY-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 23209774) is N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1nc(C(F)(F)F)cc1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is IJXZUPJCILWRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)21-23(14)22-26(24,25)13-4-2-1-3-5-13/h1-10,22H.
What are the key properties of N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 385.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 23209774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).