4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H14F3N3O2S — CID 22315667

IUPAC4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)17-12-15(7-6-13-4-2-1-3-5-13)24(23-17)14-8-10-16(11-9-14)27(22,25)26/h1-12H,(H2,22,25,26)/b7-6+
InChIKeyQGUJKHYZBUGVGU-VOTSOKGWSA-N
MW393.39 g/mol
LogP3.71
Rot. Bonds4

About 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315667) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315667
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C18H14F3N3O2S/c19-18(20,21)17-12-15(7-6-13-4-2-1-3-5-13)24(23-17)14-8-10-16(11-9-14)27(22,25)26/h1-12H,(H2,22,25,26)/b7-6+
InChIKeyQGUJKHYZBUGVGU-VOTSOKGWSA-N
XLogP3.71
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315667) is 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is QGUJKHYZBUGVGU-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c19-18(20,21)17-12-15(7-6-13-4-2-1-3-5-13)24(23-17)14-8-10-16(11-9-14)27(22,25)26/h1-12H,(H2,22,25,26)/b7-6+.
What are the key properties of 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 393.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).