N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide

C23H24F2N4O5S2 — CID 176664739

IUPACN-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(C(=O)c3cccc(S(=O)(=O)N4CC(F)(F)C4)c3)nn(C3CCCC3)c2c1
InChIInChI=1S/C23H24F2N4O5S2/c1-35(31,32)27-16-9-10-19-20(12-16)29(17-6-2-3-7-17)26-21(19)22(30)15-5-4-8-18(11-15)36(33,34)28-13-23(24,25)14-28/h4-5,8-12,17,27H,2-3,6-7,13-14H2,1H3
InChIKeyJTLSUEPUAWEICQ-UHFFFAOYSA-N
MW538.60 g/mol
LogP3.39
Rot. Bonds7

About N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide

N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide (PubChem CID 176664739) has the molecular formula C23H24F2N4O5S2 and a molecular weight of 538.60 g/mol. Its IUPAC name is N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide
PubChem CID176664739
Molecular FormulaC23H24F2N4O5S2
Molecular Weight538.60 g/mol
Exact Mass538.12
IUPAC NameN-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2c(C(=O)c3cccc(S(=O)(=O)N4CC(F)(F)C4)c3)nn(C3CCCC3)c2c1
InChIInChI=1S/C23H24F2N4O5S2/c1-35(31,32)27-16-9-10-19-20(12-16)29(17-6-2-3-7-17)26-21(19)22(30)15-5-4-8-18(11-15)36(33,34)28-13-23(24,25)14-28/h4-5,8-12,17,27H,2-3,6-7,13-14H2,1H3
InChIKeyJTLSUEPUAWEICQ-UHFFFAOYSA-N
XLogP3.39
TPSA118.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146198676
5-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146210676
5-[3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146211874
5-[2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146211877
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
2-[(3,3-difluorocyclopentyl)methyl]-7-methyl-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771896
2-[(3,3-difluorocyclopentyl)methyl]-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171772000
2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171772044
N-tert-butyl-3-[1-(4,4-difluorocyclohexyl)-6-(methanesulfonamido)indazole-3-carbonyl]benzenesulfonamide
CID 176664690
5-(1-Cyclopentyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonyl chloride
CID 176664703
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
N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
CID 176664735

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide (CID 176664739) is N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2c(C(=O)c3cccc(S(=O)(=O)N4CC(F)(F)C4)c3)nn(C3CCCC3)c2c1.
What is the InChIKey of N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide?
The InChIKey is JTLSUEPUAWEICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S2/c1-35(31,32)27-16-9-10-19-20(12-16)29(17-6-2-3-7-17)26-21(19)22(30)15-5-4-8-18(11-15)36(33,34)28-13-23(24,25)14-28/h4-5,8-12,17,27H,2-3,6-7,13-14H2,1H3.
What are the key properties of N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide?
N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide has a molecular weight of 538.60 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide is sourced from PubChem (CID 176664739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).