2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide

C14H15N3O3S — CID 28554911

IUPAC2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C14H15N3O3S/c1-9-3-2-4-12(13(9)15)14(18)17-10-5-7-11(8-6-10)21(16,19)20/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJAVMTHZXDRFKKT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide

2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 28554911) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID28554911
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1N
InChIInChI=1S/C14H15N3O3S/c1-9-3-2-4-12(13(9)15)14(18)17-10-5-7-11(8-6-10)21(16,19)20/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJAVMTHZXDRFKKT-UHFFFAOYSA-N
XLogP1.48
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
CID 59587869
CID 59587869
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
CID 103988954
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide (CID 28554911) is 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide is Cc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is JAVMTHZXDRFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-3-2-4-12(13(9)15)14(18)17-10-5-7-11(8-6-10)21(16,19)20/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide?
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 28554911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).