2-amino-3-fluoro-N-methylsulfonylbenzamide

C8H9FN2O3S — CID 103287711

IUPAC2-amino-3-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyCJWBPKBXPPIOME-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.10
Rot. Bonds2

About 2-amino-3-fluoro-N-methylsulfonylbenzamide

2-amino-3-fluoro-N-methylsulfonylbenzamide (PubChem CID 103287711) has the molecular formula C8H9FN2O3S and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-methylsulfonylbenzamide
PubChem CID103287711
Molecular FormulaC8H9FN2O3S
Molecular Weight232.24 g/mol
Exact Mass232.03
IUPAC Name2-amino-3-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C8H9FN2O3S/c1-15(13,14)11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyCJWBPKBXPPIOME-UHFFFAOYSA-N
XLogP0.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.10
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

2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-amino-3-fluoro-N',N'-dimethylbenzohydrazide
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CID 62661518
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
1-(2-amino-3-fluorophenyl)but-3-yn-1-one
CID 116597523
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 2-amino-3-fluoro-N-methylsulfonylbenzamide (CID 103287711) is 2-amino-3-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 2-amino-3-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-methylsulfonylbenzamide?
The InChIKey is CJWBPKBXPPIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S/c1-15(13,14)11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-fluoro-N-methylsulfonylbenzamide?
2-amino-3-fluoro-N-methylsulfonylbenzamide has a molecular weight of 232.24 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 103287711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).