N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide

C20H17N5O3S — CID 25325336

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C20H17N5O3S/c1-25(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(13-17)21-20(26)14-10-11-18-19(12-14)23-24-22-18/h2-13H,1H3,(H,21,26)(H,22,23,24)
InChIKeyBLKWXYUTFCPUQG-UHFFFAOYSA-N
MW407.46 g/mol
LogP3.04
Rot. Bonds5

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide (PubChem CID 25325336) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
PubChem CID25325336
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C20H17N5O3S/c1-25(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(13-17)21-20(26)14-10-11-18-19(12-14)23-24-22-18/h2-13H,1H3,(H,21,26)(H,22,23,24)
InChIKeyBLKWXYUTFCPUQG-UHFFFAOYSA-N
XLogP3.04
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-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

N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55528695
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
N-[3-(hydroxymethyl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9299545
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55332136
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
N-[3-(ethylcarbamoyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 167951994
3-[methyl(phenyl)sulfamoyl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 31404296

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide (CID 25325336) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is BLKWXYUTFCPUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-25(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(13-17)21-20(26)14-10-11-18-19(12-14)23-24-22-18/h2-13H,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 25325336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).