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

C18H13F3N4O2S — CID 135434049

IUPAC4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H13F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-10,23H,(H2,22,26,27)
InChIKeyWKTKZNZWBRSPNY-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.69
Rot. Bonds3

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

4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 135434049) has the molecular formula C18H13F3N4O2S and a molecular weight of 406.39 g/mol. Its IUPAC name is 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID135434049
Molecular FormulaC18H13F3N4O2S
Molecular Weight406.39 g/mol
Exact Mass406.07
IUPAC Name4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H13F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-10,23H,(H2,22,26,27)
InChIKeyWKTKZNZWBRSPNY-UHFFFAOYSA-N
XLogP3.69
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[3-(1H-indol-3-yl)propyl]-4-pentylbenzene-1-sulfonamide
CID 24825393
N-[4-(1H-indol-3-yl)butyl]-4-pentylbenzene-1-sulfonamide
CID 24825394
2-iodo-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11431598
4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10274389
4-[3-(1-Methyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10291754

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 135434049) is 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WKTKZNZWBRSPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-10,23H,(H2,22,26,27).
What are the key properties of 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 406.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-indol-3-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 135434049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).