N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

C25H26N4O3S — CID 67457636

IUPACN-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)22(16)15-27-25(30)19-11-12-23-21(14-19)24(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
InChIKeyREHCYJGTZODHAE-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.93
Rot. Bonds7

About N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67457636) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67457636
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)22(16)15-27-25(30)19-11-12-23-21(14-19)24(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
InChIKeyREHCYJGTZODHAE-UHFFFAOYSA-N
XLogP3.93
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67457636) is N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is CCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is REHCYJGTZODHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)22(16)15-27-25(30)19-11-12-23-21(14-19)24(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32).
What are the key properties of N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diethylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).