5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide

C24H29FN4O3S — CID 176664750

IUPAC5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc(N)ccc23)ccc1F
InChIInChI=1S/C24H29FN4O3S/c1-24(2,3)28-33(31,32)21-13-15(9-12-19(21)25)23(30)22-18-11-10-16(26)14-20(18)29(27-22)17-7-5-4-6-8-17/h9-14,17,28H,4-8,26H2,1-3H3
InChIKeyOHZSSPMWKODLEN-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.57
Rot. Bonds5

About 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide

5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide (PubChem CID 176664750) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
PubChem CID176664750
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc(N)ccc23)ccc1F
InChIInChI=1S/C24H29FN4O3S/c1-24(2,3)28-33(31,32)21-13-15(9-12-19(21)25)23(30)22-18-11-10-16(26)14-20(18)29(27-22)17-7-5-4-6-8-17/h9-14,17,28H,4-8,26H2,1-3H3
InChIKeyOHZSSPMWKODLEN-UHFFFAOYSA-N
XLogP4.57
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(ethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138852
1-(4-fluorophenyl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 58138893
3-(6-amino-3-(4-methylbenzoyl)-2H-indazol-2-yl)propanamide
CID 24856180
1-[(1-methyl-1H-indazol-3-yl)carbonyl]-8-(phenylsulfonyl)-1,4,8-triazacycloundecan-5-one
CID 110200839
3-(4-fluorophenyl)-1-methyl-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-5-carboxamide
CID 71796450
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]indazole-3-carboxamide
CID 132459909
6-(benzenesulfonamido)-N-(3-chloro-4-fluoro-phenyl)-2-methyl-indazole-3-carboxamide
CID 172054264
1-(4-Fluoro-phenyl)-6-methylamino-1H-indazole-4-carboxylic acid 4-methylsulfamoyl-benzylamide
CID 44468446
N-[(2S)-1-[2-[(4-cyanophenyl)sulfonylamino]ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124447
5-[1-Benzenesulfonyl-2-(2,6-difluoro-phenyl)-1H-indol-5-yl]-1-methyl-1H-pyrazole-3-carboxylic acid dimethylamide
CID 58200571
N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide
CID 59606922
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 68090538

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide (CID 176664750) is 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(C(=O)c2nn(C3CCCCC3)c3cc(N)ccc23)ccc1F.
What is the InChIKey of 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The InChIKey is OHZSSPMWKODLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-24(2,3)28-33(31,32)21-13-15(9-12-19(21)25)23(30)22-18-11-10-16(26)14-20(18)29(27-22)17-7-5-4-6-8-17/h9-14,17,28H,4-8,26H2,1-3H3.
What are the key properties of 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide has a molecular weight of 472.59 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-1-cyclohexylindazole-3-carbonyl)-N-tert-butyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 176664750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).