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

C22H20N4O3S — CID 67453604

IUPACN-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-26(14-15-6-3-2-4-7-15)22(27)17-10-11-20-19(13-17)21(25-24-20)16-8-5-9-18(12-16)30(23,28)29/h2-13H,14H2,1H3,(H,24,25)(H2,23,28,29)
InChIKeyYOZDTSCGPYJTAB-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.15
Rot. Bonds5

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

N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (PubChem CID 67453604) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
PubChem CID67453604
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C22H20N4O3S/c1-26(14-15-6-3-2-4-7-15)22(27)17-10-11-20-19(13-17)21(25-24-20)16-8-5-9-18(12-16)30(23,28)29/h2-13H,14H2,1H3,(H,24,25)(H2,23,28,29)
InChIKeyYOZDTSCGPYJTAB-UHFFFAOYSA-N
XLogP3.15
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
CID 110678045
1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
CID 67455298
3-(5-ethoxy-6-phenyl-1H-indazol-3-yl)benzenesulfonamide
CID 71682298
2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 123333821
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-benzyl-N-methyl-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064677
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
CID 11176634
(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
CID 67455130
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide (CID 67453604) is N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is YOZDTSCGPYJTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-26(14-15-6-3-2-4-7-15)22(27)17-10-11-20-19(13-17)21(25-24-20)16-8-5-9-18(12-16)30(23,28)29/h2-13H,14H2,1H3,(H,24,25)(H2,23,28,29).
What are the key properties of N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide?
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 67453604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).