2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide

C21H23FN4O3S — CID 171772051

IUPAC2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCCC2)c1
InChIInChI=1S/C21H23FN4O3S/c22-15-9-10-18-19(11-15)25-26(13-14-5-2-1-3-6-14)20(18)21(27)24-16-7-4-8-17(12-16)30(23,28)29/h4,7-12,14H,1-3,5-6,13H2,(H,24,27)(H2,23,28,29)
InChIKeyFEHYBCJFLUOVIP-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.66
Rot. Bonds5

About 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide

2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide (PubChem CID 171772051) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
PubChem CID171772051
Molecular FormulaC21H23FN4O3S
Molecular Weight430.51 g/mol
Exact Mass430.15
IUPAC Name2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCCC2)c1
InChIInChI=1S/C21H23FN4O3S/c22-15-9-10-18-19(11-15)25-26(13-14-5-2-1-3-6-14)20(18)21(27)24-16-7-4-8-17(12-16)30(23,28)29/h4,7-12,14H,1-3,5-6,13H2,(H,24,27)(H2,23,28,29)
InChIKeyFEHYBCJFLUOVIP-UHFFFAOYSA-N
XLogP3.66
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
App-butinaca
CID 154735174
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
CID 9926933
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 70969900
Fub-apinaca
CID 118796517
N-((1S)-2-Amino-2-oxo-1-(phenylmethyl)ethyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
CID 44206137
N-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;hydrochloride
CID 21252888
5-Fluoro-AB-PINACA
CID 91936927

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide (CID 171772051) is 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCCC2)c1.
What is the InChIKey of 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The InChIKey is FEHYBCJFLUOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c22-15-9-10-18-19(11-15)25-26(13-14-5-2-1-3-6-14)20(18)21(27)24-16-7-4-8-17(12-16)30(23,28)29/h4,7-12,14H,1-3,5-6,13H2,(H,24,27)(H2,23,28,29).
What are the key properties of 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 171772051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).