N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

C22H20N4O3S — CID 67454968

IUPACN-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-14-5-2-3-6-17(14)13-24-22(27)16-9-10-20-19(12-16)21(26-25-20)15-7-4-8-18(11-15)30(23,28)29/h2-12H,13H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyKFKYGPUSIBSXDP-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.12
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67454968) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67454968
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-14-5-2-3-6-17(14)13-24-22(27)16-9-10-20-19(12-16)21(26-25-20)15-7-4-8-18(11-15)30(23,28)29/h2-12H,13H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29)
InChIKeyKFKYGPUSIBSXDP-UHFFFAOYSA-N
XLogP3.12
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67454968) is N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is Cc1ccccc1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is KFKYGPUSIBSXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-5-2-3-6-17(14)13-24-22(27)16-9-10-20-19(12-16)21(26-25-20)15-7-4-8-18(11-15)30(23,28)29/h2-12H,13H2,1H3,(H,24,27)(H,25,26)(H2,23,28,29).
What are the key properties of N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67454968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).