lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide

C58H52F15LiN10O12S3 — CID 161107254

IUPAClithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide
SMILESCOC(=O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(=O)O)c1ccc(C(F)(F)F)cc1.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(N)=O)c1ccc(C(F)(F)F)cc1.[Li+].[OH-]
InChIInChI=1S/C20H18F5N3O4S.C19H17F5N4O3S.C19H16F5N3O4S.Li.H2O/c1-32-18(29)19(10-17(21)22,12-6-8-13(9-7-12)20(23,24)25)28-16-5-3-4-15(14(16)11-26-28)27-33(2,30)31;1-32(30,31)27-14-3-2-4-15-13(14)10-26-28(15)18(17(25)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;1-32(30,31)26-14-3-2-4-15-13(14)10-25-27(15)18(17(28)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;;/h3-9,11,17,27H,10H2,1-2H3;2-8,10,16,27H,9H2,1H3,(H2,25,29);2-8,10,16,26H,9H2,1H3,(H,28,29);;1H2/q;;;+1;/p-1
InChIKeyUJFJMOLKWRLXMG-UHFFFAOYSA-M
MW1469.22 g/mol
LogP8.05
Rot. Bonds21

About lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide

lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide (PubChem CID 161107254) has the molecular formula C58H52F15LiN10O12S3 and a molecular weight of 1469.22 g/mol. Its IUPAC name is lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide.

Molecular Properties

Compound Namelithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide
PubChem CID161107254
Molecular FormulaC58H52F15LiN10O12S3
Molecular Weight1469.22 g/mol
Exact Mass1468.28
IUPAC Namelithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide
SMILESCOC(=O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(=O)O)c1ccc(C(F)(F)F)cc1.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(N)=O)c1ccc(C(F)(F)F)cc1.[Li+].[OH-]
InChIInChI=1S/C20H18F5N3O4S.C19H17F5N4O3S.C19H16F5N3O4S.Li.H2O/c1-32-18(29)19(10-17(21)22,12-6-8-13(9-7-12)20(23,24)25)28-16-5-3-4-15(14(16)11-26-28)27-33(2,30)31;1-32(30,31)27-14-3-2-4-15-13(14)10-26-28(15)18(17(25)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;1-32(30,31)26-14-3-2-4-15-13(14)10-25-27(15)18(17(28)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;;/h3-9,11,17,27H,10H2,1-2H3;2-8,10,16,27H,9H2,1H3,(H2,25,29);2-8,10,16,26H,9H2,1H3,(H,28,29);;1H2/q;;;+1;/p-1
InChIKeyUJFJMOLKWRLXMG-UHFFFAOYSA-M
XLogP8.05
TPSA328.66 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.22
LogP ≤ 58.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide?
The IUPAC name of lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide (CID 161107254) is lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide.
What is the SMILES notation for lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide?
The canonical SMILES for lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide is COC(=O)C(CC(F)F)(c1ccc(C(F)(F)F)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(=O)O)c1ccc(C(F)(F)F)cc1.CS(=O)(=O)Nc1cccc2c1cnn2C(CC(F)F)(C(N)=O)c1ccc(C(F)(F)F)cc1.[Li+].[OH-].
What is the InChIKey of lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide?
The InChIKey is UJFJMOLKWRLXMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H18F5N3O4S.C19H17F5N4O3S.C19H16F5N3O4S.Li.H2O/c1-32-18(29)19(10-17(21)22,12-6-8-13(9-7-12)20(23,24)25)28-16-5-3-4-15(14(16)11-26-28)27-33(2,30)31;1-32(30,31)27-14-3-2-4-15-13(14)10-26-28(15)18(17(25)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;1-32(30,31)26-14-3-2-4-15-13(14)10-25-27(15)18(17(28)29,9-16(20)21)11-5-7-12(8-6-11)19(22,23)24;;/h3-9,11,17,27H,10H2,1-2H3;2-8,10,16,27H,9H2,1H3,(H2,25,29);2-8,10,16,26H,9H2,1H3,(H,28,29);;1H2/q;;;+1;/p-1.
What are the key properties of lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide?
lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide has a molecular weight of 1469.22 g/mol, XLogP of 8.05, 21 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanamide;4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid;methyl 4,4-difluoro-2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoate;hydroxide is sourced from PubChem (CID 161107254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).