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

C26H33FN4O5S2 — CID 176664735

IUPACN-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(C(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCCC3)c2c1
InChIInChI=1S/C26H33FN4O5S2/c1-5-37(33,34)29-18-12-13-20-22(16-18)31(19-9-7-6-8-10-19)28-24(20)25(32)17-11-14-21(27)23(15-17)38(35,36)30-26(2,3)4/h11-16,19,29-30H,5-10H2,1-4H3
InChIKeyDKSYGWMKBKFBAB-UHFFFAOYSA-N
MW564.71 g/mol
LogP4.75
Rot. Bonds8

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

N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide (PubChem CID 176664735) has the molecular formula C26H33FN4O5S2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
PubChem CID176664735
Molecular FormulaC26H33FN4O5S2
Molecular Weight564.71 g/mol
Exact Mass564.19
IUPAC NameN-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(C(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCCC3)c2c1
InChIInChI=1S/C26H33FN4O5S2/c1-5-37(33,34)29-18-12-13-20-22(16-18)31(19-9-7-6-8-10-19)28-24(20)25(32)17-11-14-21(27)23(15-17)38(35,36)30-26(2,3)4/h11-16,19,29-30H,5-10H2,1-4H3
InChIKeyDKSYGWMKBKFBAB-UHFFFAOYSA-N
XLogP4.75
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.71
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 132459909
N-[(2S)-3,3-dimethyl-1-oxo-1-(2-sulfamoylethylamino)butan-2-yl]-6-fluoro-1-[(4-fluorophenyl)methyl]-5-methylindazole-3-carboxamide
CID 58124460
N-[(2S)-3,3-dimethyl-1-oxo-1-[2-(propan-2-ylsulfamoyl)ethylamino]butan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124693
N-[3,3-dimethyl-1-oxo-1-[2-(propan-2-ylsulfamoyl)ethylamino]butan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 70969157
1-(cyclohexylmethyl)-N-[3,3-dimethyl-1-oxo-1-[(3-sulfamoylphenyl)methylamino]butan-2-yl]-7-fluoroindazole-3-carboxamide
CID 70969948
N-[1-[2-[(4-aminophenyl)sulfonylamino]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 89148554
5-[(2R)-2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146198676
5-[2-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 146211877
N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 153000200
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171772051
N-tert-butyl-3-[1-(4,4-difluorocyclohexyl)-6-(methanesulfonamido)indazole-3-carbonyl]benzenesulfonamide
CID 176664690

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide (CID 176664735) is N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide is CCS(=O)(=O)Nc1ccc2c(C(=O)c3ccc(F)c(S(=O)(=O)NC(C)(C)C)c3)nn(C3CCCCC3)c2c1.
What is the InChIKey of N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
The InChIKey is DKSYGWMKBKFBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O5S2/c1-5-37(33,34)29-18-12-13-20-22(16-18)31(19-9-7-6-8-10-19)28-24(20)25(32)17-11-14-21(27)23(15-17)38(35,36)30-26(2,3)4/h11-16,19,29-30H,5-10H2,1-4H3.
What are the key properties of N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide?
N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide has a molecular weight of 564.71 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[1-cyclohexyl-6-(ethylsulfonylamino)indazole-3-carbonyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176664735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).