N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

C18H19N5O3S — CID 155947785

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3ncnn3C)cc2)c1C
InChIInChI=1S/C18H19N5O3S/c1-11-8-15(27(19,25)26)9-16(12(11)2)22-18(24)14-6-4-13(5-7-14)17-20-10-21-23(17)3/h4-10H,1-3H3,(H,22,24)(H2,19,25,26)
InChIKeyHREHUVBJDJBWHO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.00
Rot. Bonds4

About N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 155947785) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID155947785
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3ncnn3C)cc2)c1C
InChIInChI=1S/C18H19N5O3S/c1-11-8-15(27(19,25)26)9-16(12(11)2)22-18(24)14-6-4-13(5-7-14)17-20-10-21-23(17)3/h4-10H,1-3H3,(H,22,24)(H2,19,25,26)
InChIKeyHREHUVBJDJBWHO-UHFFFAOYSA-N
XLogP2.00
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide 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-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9141418
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 60668178
(E)-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 9141564
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9257612
3,4-dichloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 9050460

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide (CID 155947785) is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc(-c3ncnn3C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is HREHUVBJDJBWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-11-8-15(27(19,25)26)9-16(12(11)2)22-18(24)14-6-4-13(5-7-14)17-20-10-21-23(17)3/h4-10H,1-3H3,(H,22,24)(H2,19,25,26).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 155947785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).