2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C21H18N4O3S — CID 67455813

IUPAC2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyWCYCISQGDVZZOB-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.06
Rot. Bonds5

About 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67455813) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67455813
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccc4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28)
InChIKeyWCYCISQGDVZZOB-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide 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 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67455813) is 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccc4)cc23)c1.
What is the InChIKey of 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is WCYCISQGDVZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c22-29(27,28)17-8-4-7-15(12-17)21-18-13-16(9-10-19(18)24-25-21)23-20(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,23,26)(H,24,25)(H2,22,27,28).
What are the key properties of 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67455813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).