4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide

C16H10F3N3O3S — CID 15345558

IUPAC4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3oc4ccccc4c32)cc1
InChIInChI=1S/C16H10F3N3O3S/c17-16(18,19)15-14-13(11-3-1-2-4-12(11)25-14)22(21-15)9-5-7-10(8-6-9)26(20,23)24/h1-8H,(H2,20,23,24)
InChIKeyJJBGBVCEYGXUGC-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.44
Rot. Bonds2

About 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide

4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide (PubChem CID 15345558) has the molecular formula C16H10F3N3O3S and a molecular weight of 381.34 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide
PubChem CID15345558
Molecular FormulaC16H10F3N3O3S
Molecular Weight381.34 g/mol
Exact Mass381.04
IUPAC Name4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3oc4ccccc4c32)cc1
InChIInChI=1S/C16H10F3N3O3S/c17-16(18,19)15-14-13(11-3-1-2-4-12(11)25-14)22(21-15)9-5-7-10(8-6-9)26(20,23)24/h1-8H,(H2,20,23,24)
InChIKeyJJBGBVCEYGXUGC-UHFFFAOYSA-N
XLogP3.44
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide (CID 15345558) is 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c3oc4ccccc4c32)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is JJBGBVCEYGXUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O3S/c17-16(18,19)15-14-13(11-3-1-2-4-12(11)25-14)22(21-15)9-5-7-10(8-6-9)26(20,23)24/h1-8H,(H2,20,23,24).
What are the key properties of 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide?
4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)-[1]benzofuro[3,2-c]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15345558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).