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

C20H17F3N4O2S — CID 19085978

IUPAC4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCn1ccc2cc(-c3cn(-c4ccc(S(N)(=O)=O)cc4)nc3C(F)(F)F)ccc21
InChIInChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-18(14)26)17-12-27(25-19(17)20(21,22)23)15-4-6-16(7-5-15)30(24,28)29/h3-12H,2H2,1H3,(H2,24,28,29)
InChIKeyDMRQOALTVBANEM-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.18
Rot. Bonds4

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

4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 19085978) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID19085978
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCn1ccc2cc(-c3cn(-c4ccc(S(N)(=O)=O)cc4)nc3C(F)(F)F)ccc21
InChIInChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-18(14)26)17-12-27(25-19(17)20(21,22)23)15-4-6-16(7-5-15)30(24,28)29/h3-12H,2H2,1H3,(H2,24,28,29)
InChIKeyDMRQOALTVBANEM-UHFFFAOYSA-N
XLogP4.18
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 19085978) is 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CCn1ccc2cc(-c3cn(-c4ccc(S(N)(=O)=O)cc4)nc3C(F)(F)F)ccc21.
What is the InChIKey of 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is DMRQOALTVBANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-18(14)26)17-12-27(25-19(17)20(21,22)23)15-4-6-16(7-5-15)30(24,28)29/h3-12H,2H2,1H3,(H2,24,28,29).
What are the key properties of 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 434.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 19085978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).