N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide

C24H27FN4O5S — CID 176664768

IUPACN-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc([N+](=O)[O-])ccc23)ccc1F
InChIInChI=1S/C24H27FN4O5S/c1-24(2,3)27-35(33,34)21-13-15(9-12-19(21)25)23(30)22-18-11-10-17(29(31)32)14-20(18)28(26-22)16-7-5-4-6-8-16/h9-14,16,27H,4-8H2,1-3H3
InChIKeyLTEXBFBWWZPQDE-UHFFFAOYSA-N
MW502.57 g/mol
LogP4.90
Rot. Bonds6

About N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide

N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide (PubChem CID 176664768) has the molecular formula C24H27FN4O5S and a molecular weight of 502.57 g/mol. Its IUPAC name is N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide
PubChem CID176664768
Molecular FormulaC24H27FN4O5S
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC NameN-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc([N+](=O)[O-])ccc23)ccc1F
InChIInChI=1S/C24H27FN4O5S/c1-24(2,3)27-35(33,34)21-13-15(9-12-19(21)25)23(30)22-18-11-10-17(29(31)32)14-20(18)28(26-22)16-7-5-4-6-8-16/h9-14,16,27H,4-8H2,1-3H3
InChIKeyLTEXBFBWWZPQDE-UHFFFAOYSA-N
XLogP4.90
TPSA124.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-6-nitro-2H-indazole 1-oxide
CID 24820087
Trifluoro-acetate3-[3-(4-methyl-benzoyl)-6-nitro-1-oxy-indazol-2-yl]-propyl-ammonium
CID 24982223
4-[3-(4-Methyl-benzoyl)-6-nitro-1-oxy-indazol-2-yl]-butyramide
CID 24979622
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
N-tert-butyl-3-[1-(4,4-difluorocyclohexyl)-6-(methanesulfonamido)indazole-3-carbonyl]benzenesulfonamide
CID 176664690
[5-(1-Cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorophenyl] thiohypochlorite
CID 176664691
5-(1-Cyclopentyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonyl chloride
CID 176664703
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-[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
N-[1-cyclopentyl-3-[3-(3,3-difluoroazetidin-1-yl)sulfonylbenzoyl]indazol-6-yl]methanesulfonamide
CID 176664739
(1-Cyclopentyl-6-nitroindazol-3-yl)-[3-(3-fluoro-3-methylazetidin-1-yl)sulfonylphenyl]methanone
CID 176664749

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide (CID 176664768) is N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc([N+](=O)[O-])ccc23)ccc1F.
What is the InChIKey of N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide?
The InChIKey is LTEXBFBWWZPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5S/c1-24(2,3)27-35(33,34)21-13-15(9-12-19(21)25)23(30)22-18-11-10-17(29(31)32)14-20(18)28(26-22)16-7-5-4-6-8-16/h9-14,16,27H,4-8H2,1-3H3.
What are the key properties of N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide?
N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide has a molecular weight of 502.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(1-cyclohexyl-6-nitroindazole-3-carbonyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176664768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).