2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide

C16H12F3N3O2S — CID 67662509

IUPAC2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(C(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-10-5-7-11(8-6-10)22-14(9-13(21-22)16(18)19)12-3-1-2-4-15(12)25(20,23)24/h1-9,16H,(H2,20,23,24)
InChIKeyDEPIIBAXVRFEJB-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.26
Rot. Bonds4

About 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide

2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 67662509) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID67662509
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1cc(C(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-10-5-7-11(8-6-10)22-14(9-13(21-22)16(18)19)12-3-1-2-4-15(12)25(20,23)24/h1-9,16H,(H2,20,23,24)
InChIKeyDEPIIBAXVRFEJB-UHFFFAOYSA-N
XLogP3.26
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide (CID 67662509) is 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1cc(C(F)F)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is DEPIIBAXVRFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-10-5-7-11(8-6-10)22-14(9-13(21-22)16(18)19)12-3-1-2-4-15(12)25(20,23)24/h1-9,16H,(H2,20,23,24).
What are the key properties of 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide?
2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67662509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).