N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide

C50H61FN8O10S4 — CID 176664733

IUPACN-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(C(=O)c3cc(C4CCCC(n5nc(C(=O)c6ccc(F)c(S(=O)(=O)NC(C)(C)C)c6)c6ccc(NS(C)(=O)=O)cc65)C4)cc(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCC3)c2c1
InChIInChI=1S/C50H61FN8O10S4/c1-9-71(64,65)55-35-19-21-39-42(29-35)58(36-14-10-11-15-36)52-46(39)48(61)33-23-32(25-38(26-33)72(66,67)56-49(2,3)4)30-13-12-16-37(24-30)59-43-28-34(54-70(8,62)63)18-20-40(43)45(53-59)47(60)31-17-22-41(51)44(27-31)73(68,69)57-50(5,6)7/h17-23,25-30,36-37,54-57H,9-16,24H2,1-8H3
InChIKeyUWKSMLFXMYTTHG-UHFFFAOYSA-N
MW1081.35 g/mol
LogP8.29
Rot. Bonds16

About N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide

N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide (PubChem CID 176664733) has the molecular formula C50H61FN8O10S4 and a molecular weight of 1081.35 g/mol. Its IUPAC name is N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
PubChem CID176664733
Molecular FormulaC50H61FN8O10S4
Molecular Weight1081.35 g/mol
Exact Mass1080.34
IUPAC NameN-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(C(=O)c3cc(C4CCCC(n5nc(C(=O)c6ccc(F)c(S(=O)(=O)NC(C)(C)C)c6)c6ccc(NS(C)(=O)=O)cc65)C4)cc(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCC3)c2c1
InChIInChI=1S/C50H61FN8O10S4/c1-9-71(64,65)55-35-19-21-39-42(29-35)58(36-14-10-11-15-36)52-46(39)48(61)33-23-32(25-38(26-33)72(66,67)56-49(2,3)4)30-13-12-16-37(24-30)59-43-28-34(54-70(8,62)63)18-20-40(43)45(53-59)47(60)31-17-22-41(51)44(27-31)73(68,69)57-50(5,6)7/h17-23,25-30,36-37,54-57H,9-16,24H2,1-8H3
InChIKeyUWKSMLFXMYTTHG-UHFFFAOYSA-N
XLogP8.29
TPSA254.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.35
LogP ≤ 58.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-tert-butyl-3-[1-(4,4-difluorocyclohexyl)-6-(methanesulfonamido)indazole-3-carbonyl]benzenesulfonamide
CID 176664690
N-tert-butyl-3-[3-[3-[3-(tert-butylsulfamoyl)-4-fluorobenzoyl]-6-nitroindazol-1-yl]cyclohexyl]-5-(1-cyclopentyl-6-nitroindazole-3-carbonyl)-4-fluorobenzenesulfonamide
CID 176664730
N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
CID 176664735
N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide
CID 176664739
5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 176664750
N-tert-butyl-5-[1-cyclohexyl-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
CID 176664757
N-tert-butyl-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
CID 176664761
N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide
CID 176664768
5-(6-amino-1-cyclopentylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 176664783
5-[6-amino-1-[3-[3-(tert-butylsulfamoyl)-5-[[1-cyclopentyl-6-(ethylsulfonylamino)indazol-3-yl]-hydroxymethyl]phenyl]cyclohexyl]indazole-3-carbonyl]-N-tert-butyl-2-fluorobenzenesulfonamide
CID 176664788
N-tert-butyl-3-[1-[3-[3-[1-cyclopentyl-6-(methanesulfonamido)indazole-3-carbonyl]-5-(3,3-difluoroazetidin-1-yl)sulfonylphenyl]cyclopentyl]-6-(methanesulfonamido)indazole-3-carbonyl]benzenesulfonamide
CID 176664789
N-tert-butyl-5-(1-cyclopentyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide
CID 176664790

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide (CID 176664733) is N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide is CCS(=O)(=O)Nc1ccc2c(C(=O)c3cc(C4CCCC(n5nc(C(=O)c6ccc(F)c(S(=O)(=O)NC(C)(C)C)c6)c6ccc(NS(C)(=O)=O)cc65)C4)cc(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCC3)c2c1.
What is the InChIKey of N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The InChIKey is UWKSMLFXMYTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H61FN8O10S4/c1-9-71(64,65)55-35-19-21-39-42(29-35)58(36-14-10-11-15-36)52-46(39)48(61)33-23-32(25-38(26-33)72(66,67)56-49(2,3)4)30-13-12-16-37(24-30)59-43-28-34(54-70(8,62)63)18-20-40(43)45(53-59)47(60)31-17-22-41(51)44(27-31)73(68,69)57-50(5,6)7/h17-23,25-30,36-37,54-57H,9-16,24H2,1-8H3.
What are the key properties of N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide has a molecular weight of 1081.35 g/mol, XLogP of 8.29, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[1-[3-[3-(tert-butylsulfamoyl)-5-[1-cyclopentyl-6-(ethylsulfonylamino)indazole-3-carbonyl]phenyl]cyclohexyl]-6-(methanesulfonamido)indazole-3-carbonyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176664733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).