2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide

C20H18F4N4O3S — CID 171772068

IUPAC2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2(F)F)ccc1F
InChIInChI=1S/C20H18F4N4O3S/c21-12-3-5-14-16(8-12)27-28(10-11-2-1-7-20(11,23)24)18(14)19(29)26-13-4-6-15(22)17(9-13)32(25,30)31/h3-6,8-9,11H,1-2,7,10H2,(H,26,29)(H2,25,30,31)
InChIKeyNVNIMZIMNMSOPO-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.65
Rot. Bonds5

About 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide

2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide (PubChem CID 171772068) has the molecular formula C20H18F4N4O3S and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide
PubChem CID171772068
Molecular FormulaC20H18F4N4O3S
Molecular Weight470.45 g/mol
Exact Mass470.10
IUPAC Name2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2(F)F)ccc1F
InChIInChI=1S/C20H18F4N4O3S/c21-12-3-5-14-16(8-12)27-28(10-11-2-1-7-20(11,23)24)18(14)19(29)26-13-4-6-15(22)17(9-13)32(25,30)31/h3-6,8-9,11H,1-2,7,10H2,(H,26,29)(H2,25,30,31)
InChIKeyNVNIMZIMNMSOPO-UHFFFAOYSA-N
XLogP3.65
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide?
The IUPAC name of 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide (CID 171772068) is 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide?
The canonical SMILES for 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2c3ccc(F)cc3nn2CC2CCCC2(F)F)ccc1F.
What is the InChIKey of 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide?
The InChIKey is NVNIMZIMNMSOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3S/c21-12-3-5-14-16(8-12)27-28(10-11-2-1-7-20(11,23)24)18(14)19(29)26-13-4-6-15(22)17(9-13)32(25,30)31/h3-6,8-9,11H,1-2,7,10H2,(H,26,29)(H2,25,30,31).
What are the key properties of 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide?
2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide has a molecular weight of 470.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopentyl)methyl]-6-fluoro-N-(4-fluoro-3-sulfamoylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 171772068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).