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

C20H21FN4O3S — CID 171771992

IUPAC2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1
InChIInChI=1S/C20H21FN4O3S/c21-14-8-9-17-18(10-14)24-25(12-13-4-1-2-5-13)19(17)20(26)23-15-6-3-7-16(11-15)29(22,27)28/h3,6-11,13H,1-2,4-5,12H2,(H,23,26)(H2,22,27,28)
InChIKeyDTOHOEQAZXWDDN-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.27
Rot. Bonds5

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

2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide (PubChem CID 171771992) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
PubChem CID171771992
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC Name2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1
InChIInChI=1S/C20H21FN4O3S/c21-14-8-9-17-18(10-14)24-25(12-13-4-1-2-5-13)19(17)20(26)23-15-6-3-7-16(11-15)29(22,27)28/h3,6-11,13H,1-2,4-5,12H2,(H,23,26)(H2,22,27,28)
InChIKeyDTOHOEQAZXWDDN-UHFFFAOYSA-N
XLogP3.27
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.27
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
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
N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The IUPAC name of 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide (CID 171771992) is 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The canonical SMILES for 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2)c1.
What is the InChIKey of 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The InChIKey is DTOHOEQAZXWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c21-14-8-9-17-18(10-14)24-25(12-13-4-1-2-5-13)19(17)20(26)23-15-6-3-7-16(11-15)29(22,27)28/h3,6-11,13H,1-2,4-5,12H2,(H,23,26)(H2,22,27,28).
What are the key properties of 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-6-fluoro-N-(3-sulfamoylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 171771992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).