N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide

C12H17FN2O4S — CID 114267193

IUPACN-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CC(=O)NCCCF
InChIInChI=1S/C12H17FN2O4S/c1-19-11-4-3-10(20(14,17)18)7-9(11)8-12(16)15-6-2-5-13/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWBTBACBVNVFRRS-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.36
Rot. Bonds7

About N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide

N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide (PubChem CID 114267193) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide
PubChem CID114267193
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1CC(=O)NCCCF
InChIInChI=1S/C12H17FN2O4S/c1-19-11-4-3-10(20(14,17)18)7-9(11)8-12(16)15-6-2-5-13/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWBTBACBVNVFRRS-UHFFFAOYSA-N
XLogP0.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide?
The IUPAC name of N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide (CID 114267193) is N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide?
The canonical SMILES for N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide is COc1ccc(S(N)(=O)=O)cc1CC(=O)NCCCF.
What is the InChIKey of N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide?
The InChIKey is WBTBACBVNVFRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-19-11-4-3-10(20(14,17)18)7-9(11)8-12(16)15-6-2-5-13/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide?
N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-2-(2-methoxy-5-sulfamoylphenyl)acetamide is sourced from PubChem (CID 114267193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).