3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide

C14H15N3O3S — CID 43710895

IUPAC3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H15N3O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJZTOBEPKCFMHEF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.48
Rot. Bonds3

About 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide

3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide (PubChem CID 43710895) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
PubChem CID43710895
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C14H15N3O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJZTOBEPKCFMHEF-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

3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
ethyl 3-[(3-aminobenzoyl)amino]-4-methylbenzoate
CID 154574450
1-N,3-N-bis[3-[(3-aminobenzoyl)amino]-4-methylphenyl]-4-hydroxybenzene-1,3-dicarboxamide
CID 139753100
4-chloro-N-(2-methyl-5-sulfamoylphenyl)-3-nitrobenzamide
CID 4547924
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The IUPAC name of 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide (CID 43710895) is 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide?
The InChIKey is JZTOBEPKCFMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-5-6-12(21(16,19)20)8-13(9)17-14(18)10-3-2-4-11(15)7-10/h2-8H,15H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide?
3-amino-N-(2-methyl-5-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 3-amino-N-(2-methyl-5-sulfamoylphenyl)benzamide is sourced from PubChem (CID 43710895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).