2-amino-5-(methanesulfonamido)benzamide

C8H11N3O3S — CID 59583438

IUPAC2-amino-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-5-2-3-7(9)6(4-5)8(10)12/h2-4,11H,9H2,1H3,(H2,10,12)
InChIKeyWBNXTTPBEKRAJP-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.26
Rot. Bonds3

About 2-amino-5-(methanesulfonamido)benzamide

2-amino-5-(methanesulfonamido)benzamide (PubChem CID 59583438) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-amino-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-amino-5-(methanesulfonamido)benzamide
PubChem CID59583438
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-amino-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C8H11N3O3S/c1-15(13,14)11-5-2-3-7(9)6(4-5)8(10)12/h2-4,11H,9H2,1H3,(H2,10,12)
InChIKeyWBNXTTPBEKRAJP-UHFFFAOYSA-N
XLogP-0.26
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.26
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-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-[4-(methanesulfonamido)phenyl]pyridine-3-carboxamide
CID 126674978
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
2-amino-5-(2,4,6-trimethylanilino)benzamide
CID 61313467
2-amino-5-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104829686
2-amino-5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]benzamide
CID 114176569
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-amino-5-(methanesulfonamido)benzamide (CID 59583438) is 2-amino-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-amino-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-amino-5-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(methanesulfonamido)benzamide?
The InChIKey is WBNXTTPBEKRAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-15(13,14)11-5-2-3-7(9)6(4-5)8(10)12/h2-4,11H,9H2,1H3,(H2,10,12).
What are the key properties of 2-amino-5-(methanesulfonamido)benzamide?
2-amino-5-(methanesulfonamido)benzamide has a molecular weight of 229.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 59583438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).