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

C19H15F3N4O2S — CID 22315503

IUPAC4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc2cc[nH]c12
InChIInChI=1S/C19H15F3N4O2S/c1-11-8-13(9-12-6-7-24-18(11)12)16-10-17(19(20,21)22)25-26(16)14-2-4-15(5-3-14)29(23,27)28/h2-10,24H,1H3,(H2,23,27,28)
InChIKeyATKHOXMSRLXPHH-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.00
Rot. Bonds3

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

4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 22315503) has the molecular formula C19H15F3N4O2S and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID22315503
Molecular FormulaC19H15F3N4O2S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc2cc[nH]c12
InChIInChI=1S/C19H15F3N4O2S/c1-11-8-13(9-12-6-7-24-18(11)12)16-10-17(19(20,21)22)25-26(16)14-2-4-15(5-3-14)29(23,27)28/h2-10,24H,1H3,(H2,23,27,28)
InChIKeyATKHOXMSRLXPHH-UHFFFAOYSA-N
XLogP4.00
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 22315503) is 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc2cc[nH]c12.
What is the InChIKey of 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ATKHOXMSRLXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S/c1-11-8-13(9-12-6-7-24-18(11)12)16-10-17(19(20,21)22)25-26(16)14-2-4-15(5-3-14)29(23,27)28/h2-10,24H,1H3,(H2,23,27,28).
What are the key properties of 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 420.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-methyl-1H-indol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22315503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).