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

C44H45F7N8O9S2-2 — CID 158695101

IUPACbenzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
SMILESCc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.NS(=O)(=O)c1ccccc1.[2H-].[F-]
InChIInChI=1S/C22H21F3N4O4S.C16H16F3N3O3.C6H7NO2S.FH.H/c1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;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;;/h2-9,13H,10-12,14H2,1H3,(H,28,30);2-4,8H,5-7,9H2,1H3,(H,23,24);1-5H,(H2,7,8,9);1H;/q;;;;-1/p-1/i;;;;1+1
InChIKeyIGVKGLOKFVDVQX-RCUQKECRSA-M
MW1028.02 g/mol
LogP4.64
Rot. Bonds15

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

benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (PubChem CID 158695101) has the molecular formula C44H45F7N8O9S2-2 and a molecular weight of 1028.02 g/mol. Its IUPAC name is benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.

Molecular Properties

Compound Namebenzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
PubChem CID158695101
Molecular FormulaC44H45F7N8O9S2-2
Molecular Weight1028.02 g/mol
Exact Mass1027.27
IUPAC Namebenzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
SMILESCc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.NS(=O)(=O)c1ccccc1.[2H-].[F-]
InChIInChI=1S/C22H21F3N4O4S.C16H16F3N3O3.C6H7NO2S.FH.H/c1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;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;;/h2-9,13H,10-12,14H2,1H3,(H,28,30);2-4,8H,5-7,9H2,1H3,(H,23,24);1-5H,(H2,7,8,9);1H;/q;;;;-1/p-1/i;;;;1+1
InChIKeyIGVKGLOKFVDVQX-RCUQKECRSA-M
XLogP4.64
TPSA240.58 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.02
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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

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Related Compounds

N-(benzenesulfonyl)-2-[(4R)-2,2-dimethyl-4-trimethylgermylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 156680992
2-chloro-N-(3-fluorophenyl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393477
N-(benzenesulfonyl)-2-[(4S)-4-ethyl-2-(4-iodobutyl)-2-methylpyrrolidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398742
deuteride;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-methylpyridine-3-carboxamide;6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-2-methylpyridine-3-carboxylic acid;1,3-dimethylpyrazole-4-sulfonamide;methane;fluoride
CID 161390166
N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 160837808
2-chloro-N-(2-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827
N-(benzenesulfonyl)-6-[3-[[1-(2-fluoropropan-2-yl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166761913
2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]-3-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139416353
N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134393452
N-[3-[4-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)butyl]phenyl]sulfonyl-2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139416913
N-methylsulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 161378525
tert-butyl 4-[3-[4-[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]sulfamoyl]phenoxy]propyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139389432

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?
The IUPAC name of benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride (CID 158695101) is benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride.
What is the SMILES notation for benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?
The canonical SMILES for benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;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(=O)(=O)c1ccccc1.Cc1nc(-n2ccc(OCCC3(C(F)(F)F)CC3)n2)ccc1C(=O)O.NS(=O)(=O)c1ccccc1.[2H-].[F-].
What is the InChIKey of benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?
The InChIKey is IGVKGLOKFVDVQX-RCUQKECRSA-M. The full InChI is InChI=1S/C22H21F3N4O4S.C16H16F3N3O3.C6H7NO2S.FH.H/c1-15-17(20(30)28-34(31,32)16-5-3-2-4-6-16)7-8-18(26-15)29-13-9-19(27-29)33-14-12-21(10-11-21)22(23,24)25;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;;/h2-9,13H,10-12,14H2,1H3,(H,28,30);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;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride?
benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride has a molecular weight of 1028.02 g/mol, XLogP of 4.64, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride is sourced from PubChem (CID 158695101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).