4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C20H15F3N4O2S2 — CID 127053151

IUPAC4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-18(30-19(25-12)13-5-3-2-4-6-13)16-11-17(20(21,22)23)26-27(16)14-7-9-15(10-8-14)31(24,28)29/h2-11H,1H3,(H2,24,28,29)
InChIKeyRHBMPLODTPIHHK-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.64
Rot. Bonds4

About 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 127053151) has the molecular formula C20H15F3N4O2S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID127053151
Molecular FormulaC20H15F3N4O2S2
Molecular Weight464.49 g/mol
Exact Mass464.06
IUPAC Name4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccccc2)sc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H15F3N4O2S2/c1-12-18(30-19(25-12)13-5-3-2-4-6-13)16-11-17(20(21,22)23)26-27(16)14-7-9-15(10-8-14)31(24,28)29/h2-11H,1H3,(H2,24,28,29)
InChIKeyRHBMPLODTPIHHK-UHFFFAOYSA-N
XLogP4.64
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-methyl-2-phenyl-1,3-thiazol-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-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 127053151) is 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is Cc1nc(-c2ccccc2)sc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is RHBMPLODTPIHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S2/c1-12-18(30-19(25-12)13-5-3-2-4-6-13)16-11-17(20(21,22)23)26-27(16)14-7-9-15(10-8-14)31(24,28)29/h2-11H,1H3,(H2,24,28,29).
What are the key properties of 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 464.49 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 127053151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).