4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C18H12F4N4O2S — CID 22315445

IUPAC4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c3[nH]ccc3c2)cc1
InChIInChI=1S/C18H12F4N4O2S/c19-14-8-11(7-10-5-6-24-17(10)14)15-9-16(18(20,21)22)25-26(15)12-1-3-13(4-2-12)29(23,27)28/h1-9,24H,(H2,23,27,28)
InChIKeyOFBJMGMDVCUQKI-UHFFFAOYSA-N
MW424.38 g/mol
LogP3.83
Rot. Bonds3

About 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315445) has the molecular formula C18H12F4N4O2S and a molecular weight of 424.38 g/mol. Its IUPAC name is 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315445
Molecular FormulaC18H12F4N4O2S
Molecular Weight424.38 g/mol
Exact Mass424.06
IUPAC Name4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c3[nH]ccc3c2)cc1
InChIInChI=1S/C18H12F4N4O2S/c19-14-8-11(7-10-5-6-24-17(10)14)15-9-16(18(20,21)22)25-26(15)12-1-3-13(4-2-12)29(23,27)28/h1-9,24H,(H2,23,27,28)
InChIKeyOFBJMGMDVCUQKI-UHFFFAOYSA-N
XLogP3.83
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315445) is 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c3[nH]ccc3c2)cc1.
What is the InChIKey of 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is OFBJMGMDVCUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O2S/c19-14-8-11(7-10-5-6-24-17(10)14)15-9-16(18(20,21)22)25-26(15)12-1-3-13(4-2-12)29(23,27)28/h1-9,24H,(H2,23,27,28).
What are the key properties of 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 424.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoro-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).