7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide

C21H24N4O4S — CID 171771986

IUPAC7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)n(CC3CCOCC3)nc12
InChIInChI=1S/C21H24N4O4S/c1-14-4-2-7-18-19(14)24-25(13-15-8-10-29-11-9-15)20(18)21(26)23-16-5-3-6-17(12-16)30(22,27)28/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyRXORORVBXNAMCD-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.67
Rot. Bonds5

About 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide

7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide (PubChem CID 171771986) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
PubChem CID171771986
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)n(CC3CCOCC3)nc12
InChIInChI=1S/C21H24N4O4S/c1-14-4-2-7-18-19(14)24-25(13-15-8-10-29-11-9-15)20(18)21(26)23-16-5-3-6-17(12-16)30(22,27)28/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)(H2,22,27,28)
InChIKeyRXORORVBXNAMCD-UHFFFAOYSA-N
XLogP2.67
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The IUPAC name of 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide (CID 171771986) is 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide.
What is the SMILES notation for 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The canonical SMILES for 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide is Cc1cccc2c(C(=O)Nc3cccc(S(N)(=O)=O)c3)n(CC3CCOCC3)nc12.
What is the InChIKey of 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
The InChIKey is RXORORVBXNAMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-4-2-7-18-19(14)24-25(13-15-8-10-29-11-9-15)20(18)21(26)23-16-5-3-6-17(12-16)30(22,27)28/h2-7,12,15H,8-11,13H2,1H3,(H,23,26)(H2,22,27,28).
What are the key properties of 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide?
7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide is sourced from PubChem (CID 171771986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).