benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride

C39H43F7N8O9S2-2 — CID 161331036

About benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride

benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (PubChem CID 161331036) has the molecular formula C39H43F7N8O9S2-2 and a molecular weight of 965.95 g/mol. Its IUPAC name is benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

Molecular Properties

• Compound Name: benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
• PubChem CID: 161331036
• Molecular Formula: C39H43F7N8O9S2-2
• Molecular Weight: 965.95 g/mol
• Exact Mass: 965.26
• IUPAC Name: benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
• SMILES: Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(C)(=O)=O.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.NS(=O)(=O)c1ccccc1.[2H-].[F-]
• InChI: InChI=1S/C17H19F3N4O4S.C16H16F3N3O3.C6H7NO2S.FH.H/c1-11-12(15(25)23-29(2,26)27)3-4-13(21-11)24-9-5-14(22-24)28-10-8-16(6-7-16)17(18,19)20;1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19;7-10(8,9)6-4-2-1-3-5-6;;/h3-5,9H,6-8,10H2,1-2H3,(H,23,25);2-4,8H,5-7,9H2,1H3,(H,23,24);1-5H,(H2,7,8,9);1H;/q;;;;-1/p-1/i;;;;1+1
• InChIKey: VLKNSZYKANTZTB-RCUQKECRSA-M
• XLogP: 3.21
• TPSA: 240.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.95
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The IUPAC name of benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (CID 161331036) is benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

What is the SMILES notation for benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The canonical SMILES for benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(C)(=O)=O.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.NS(=O)(=O)c1ccccc1.[2H-].[F-].

What is the InChIKey of benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

The InChIKey is VLKNSZYKANTZTB-RCUQKECRSA-M. The full InChI is InChI=1S/C17H19F3N4O4S.C16H16F3N3O3.C6H7NO2S.FH.H/c1-11-12(15(25)23-29(2,26)27)3-4-13(21-11)24-9-5-14(22-24)28-10-8-16(6-7-16)17(18,19)20;1-10-11(14(23)24)2-3-12(20-10)22-8-4-13(21-22)25-9-7-15(5-6-15)16(17,18)19;7-10(8,9)6-4-2-1-3-5-6;;/h3-5,9H,6-8,10H2,1-2H3,(H,23,25);2-4,8H,5-7,9H2,1H3,(H,23,24);1-5H,(H2,7,8,9);1H;/q;;;;-1/p-1/i;;;;1+1.

What are the key properties of benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?

benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride has a molecular weight of 965.95 g/mol, XLogP of 3.21, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonamide;deuteride;2-methyl-N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 161331036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).