N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide

C24H24N4O4S — CID 156859999

IUPACN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H24N4O4S/c1-15-6-5-7-16(2)23(15)27-33(30,31)22-13-19(10-11-21(22)32-4)26-24(29)17-8-9-18-14-25-28(3)20(18)12-17/h5-14,27H,1-4H3,(H,26,29)
InChIKeyKLTQZRJRNIMBCV-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.25
Rot. Bonds6

About N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide (PubChem CID 156859999) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide
PubChem CID156859999
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C24H24N4O4S/c1-15-6-5-7-16(2)23(15)27-33(30,31)22-13-19(10-11-21(22)32-4)26-24(29)17-8-9-18-14-25-28(3)20(18)12-17/h5-14,27H,1-4H3,(H,26,29)
InChIKeyKLTQZRJRNIMBCV-UHFFFAOYSA-N
XLogP4.25
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide (CID 156859999) is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide is COc1ccc(NC(=O)c2ccc3cnn(C)c3c2)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide?
The InChIKey is KLTQZRJRNIMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15-6-5-7-16(2)23(15)27-33(30,31)22-13-19(10-11-21(22)32-4)26-24(29)17-8-9-18-14-25-28(3)20(18)12-17/h5-14,27H,1-4H3,(H,26,29).
What are the key properties of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide?
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 156859999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).