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

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Related Compounds

N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
CID 171772052
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334327
N-(3-methylsulfonylphenyl)-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239510
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 66335294
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
1-(spiro[2.3]hexan-5-ylmethyl)-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171772230
N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
CID 171771928
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
3-methyl-N-[3-[methyl(dimethylidene)-λ6-sulfanyl]phenyl]-1-(oxetan-2-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528395
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
CID 166528439

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).