N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C20H15F3N4O3S — CID 71731558

IUPACN-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C20H15F3N4O3S/c1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h2-12,26H,1H3
InChIKeyDPNWUMBKCGKXDQ-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.43
Rot. Bonds5

About N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 71731558) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID71731558
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC NameN-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C20H15F3N4O3S/c1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h2-12,26H,1H3
InChIKeyDPNWUMBKCGKXDQ-UHFFFAOYSA-N
XLogP4.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 71731558) is N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DPNWUMBKCGKXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h2-12,26H,1H3.
What are the key properties of N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 448.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 71731558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).