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

C20H17F3N4O2S — CID 22315449

IUPAC4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCn1ccc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-17(14)26)18-12-19(20(21,22)23)25-27(18)15-4-6-16(7-5-15)30(24,28)29/h3-12H,2H2,1H3,(H2,24,28,29)
InChIKeyHNLQCLPLLUGRLM-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.18
Rot. Bonds4

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

4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315449) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315449
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCn1ccc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)ccc21
InChIInChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-17(14)26)18-12-19(20(21,22)23)25-27(18)15-4-6-16(7-5-15)30(24,28)29/h3-12H,2H2,1H3,(H2,24,28,29)
InChIKeyHNLQCLPLLUGRLM-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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Related Compounds

1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10291754
(R)-3-(1-methyl-2-pyrrolidinylmethyl)-1-phenylsulfonylindole
CID 11624561
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
4-[3-(1H-indol-3-yl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 9866143
1-(2,4-Difluoro benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
CID 25024326
1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylpiperazin-1-yl-methyl)-1H-indole
CID 25024725
4-(3-Dimethylaminomethyl-indole-1-sulfonyl)-phenylamine
CID 44327999
1-(3-trifluoromethyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
CID 54580442
1-(Benzenesulfonyl)-3-(1-methylpyrrolidin-3-yl)indole
CID 56659681
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315449) is 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is CCn1ccc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)ccc21.
What is the InChIKey of 4-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HNLQCLPLLUGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-2-26-10-9-14-11-13(3-8-17(14)26)18-12-19(20(21,22)23)25-27(18)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-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(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-[5-(1-ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).