5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide

C13H12FN3O3S — CID 103775627

IUPAC5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(N)=O
InChIInChI=1S/C13H12FN3O3S/c1-8-2-4-10(6-11(8)13(15)18)21(19,20)17-9-3-5-12(14)16-7-9/h2-7,17H,1H3,(H2,15,18)
InChIKeyAWHHXNJQLZVLLM-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.43
Rot. Bonds4

About 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide

5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide (PubChem CID 103775627) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
PubChem CID103775627
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(N)=O
InChIInChI=1S/C13H12FN3O3S/c1-8-2-4-10(6-11(8)13(15)18)21(19,20)17-9-3-5-12(14)16-7-9/h2-7,17H,1H3,(H2,15,18)
InChIKeyAWHHXNJQLZVLLM-UHFFFAOYSA-N
XLogP1.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-fluoro-3-pyridinyl)sulfamoyl]benzamide
CID 103775704
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
2-methyl-5-[(3-methylsulfanylphenyl)sulfamoyl]benzamide
CID 2991974
2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 63820783
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
5-[[6-[(4-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170716
5-[(4-bromo-2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 2990334
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
5-[[6-(3-chloro-4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170487
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide (CID 103775627) is 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1C(N)=O.
What is the InChIKey of 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is AWHHXNJQLZVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-2-4-10(6-11(8)13(15)18)21(19,20)17-9-3-5-12(14)16-7-9/h2-7,17H,1H3,(H2,15,18).
What are the key properties of 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide?
5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 309.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 103775627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).