N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

C21H18N4O3S — CID 67457022

IUPACN-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NCc4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(11-17)20-18-12-16(9-10-19(18)24-25-20)21(26)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyFAMWOWZEJKDGFC-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide

N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67457022) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67457022
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NCc4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(11-17)20-18-12-16(9-10-19(18)24-25-20)21(26)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyFAMWOWZEJKDGFC-UHFFFAOYSA-N
XLogP2.81
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67457022) is N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NCc4ccccc4)cc23)c1.
What is the InChIKey of N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is FAMWOWZEJKDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(11-17)20-18-12-16(9-10-19(18)24-25-20)21(26)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,26)(H,24,25)(H2,22,27,28).
What are the key properties of N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67457022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).