4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H12F3N3O2S — CID 19085974

IUPAC4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(11-4-2-1-3-5-11)10-22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
InChIKeyVHPNEQPEGMFHSV-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.21
Rot. Bonds3

About 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 19085974) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID19085974
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(11-4-2-1-3-5-11)10-22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
InChIKeyVHPNEQPEGMFHSV-UHFFFAOYSA-N
XLogP3.21
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 19085974) is 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)c(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is VHPNEQPEGMFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-14(11-4-2-1-3-5-11)10-22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24).
What are the key properties of 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 19085974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).