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

C18H12F3N3O3S — CID 10835226

IUPAC4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H12F3N3O3S/c19-18(20,21)17-10-14(16-9-11-3-1-2-4-15(11)27-16)24(23-17)12-5-7-13(8-6-12)28(22,25)26/h1-10H,(H2,22,25,26)
InChIKeyNRHIQVOTOADHAI-UHFFFAOYSA-N
MW407.37 g/mol
LogP3.95
Rot. Bonds3

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

4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10835226) has the molecular formula C18H12F3N3O3S and a molecular weight of 407.37 g/mol. Its IUPAC name is 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10835226
Molecular FormulaC18H12F3N3O3S
Molecular Weight407.37 g/mol
Exact Mass407.06
IUPAC Name4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H12F3N3O3S/c19-18(20,21)17-10-14(16-9-11-3-1-2-4-15(11)27-16)24(23-17)12-5-7-13(8-6-12)28(22,25)26/h1-10H,(H2,22,25,26)
InChIKeyNRHIQVOTOADHAI-UHFFFAOYSA-N
XLogP3.95
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10835226) is 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NRHIQVOTOADHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3S/c19-18(20,21)17-10-14(16-9-11-3-1-2-4-15(11)27-16)24(23-17)12-5-7-13(8-6-12)28(22,25)26/h1-10H,(H2,22,25,26).
What are the key properties of 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 407.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzofuran-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).