5-amino-2-methyl-N-methylsulfonylbenzamide

C9H12N2O3S — CID 18957755

IUPAC5-amino-2-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(N)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-6-3-4-7(10)5-8(6)9(12)11-15(2,13)14/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyTVGDBXSVFQYDQT-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.27
Rot. Bonds2

About 5-amino-2-methyl-N-methylsulfonylbenzamide

5-amino-2-methyl-N-methylsulfonylbenzamide (PubChem CID 18957755) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-amino-2-methyl-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-methylsulfonylbenzamide
PubChem CID18957755
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name5-amino-2-methyl-N-methylsulfonylbenzamide
SMILESCc1ccc(N)cc1C(=O)NS(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-6-3-4-7(10)5-8(6)9(12)11-15(2,13)14/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyTVGDBXSVFQYDQT-UHFFFAOYSA-N
XLogP0.27
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbenzamide
CID 104725719
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbenzamide
CID 107864346
5-amino-2-methyl-N-(3-methylbut-2-enyl)benzamide
CID 106179725
5-amino-2-methyl-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641249
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-amino-4-bromo-N-methylsulfonylbenzamide
CID 103287307
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-methylsulfonylbenzamide?
The IUPAC name of 5-amino-2-methyl-N-methylsulfonylbenzamide (CID 18957755) is 5-amino-2-methyl-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-amino-2-methyl-N-methylsulfonylbenzamide?
The canonical SMILES for 5-amino-2-methyl-N-methylsulfonylbenzamide is Cc1ccc(N)cc1C(=O)NS(C)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-N-methylsulfonylbenzamide?
The InChIKey is TVGDBXSVFQYDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6-3-4-7(10)5-8(6)9(12)11-15(2,13)14/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of 5-amino-2-methyl-N-methylsulfonylbenzamide?
5-amino-2-methyl-N-methylsulfonylbenzamide has a molecular weight of 228.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-methylsulfonylbenzamide is sourced from PubChem (CID 18957755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).