3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide

C17H19FN2O4S — CID 109063851

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O4S/c1-24-10-4-9-19-17(21)13-5-2-8-16(11-13)25(22,23)20-15-7-3-6-14(18)12-15/h2-3,5-8,11-12,20H,4,9-10H2,1H3,(H,19,21)
InChIKeyYXCLXMFXNGMLKN-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.39
Rot. Bonds8

About 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide

3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (PubChem CID 109063851) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
PubChem CID109063851
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O4S/c1-24-10-4-9-19-17(21)13-5-2-8-16(11-13)25(22,23)20-15-7-3-6-14(18)12-15/h2-3,5-8,11-12,20H,4,9-10H2,1H3,(H,19,21)
InChIKeyYXCLXMFXNGMLKN-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.39
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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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065341
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
N-(3-methoxypropyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062648
N-(3-ethoxypropyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 26776167
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-[2-(3-fluorophenoxy)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 35101237
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide (CID 109063851) is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
The InChIKey is YXCLXMFXNGMLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-24-10-4-9-19-17(21)13-5-2-8-16(11-13)25(22,23)20-15-7-3-6-14(18)12-15/h2-3,5-8,11-12,20H,4,9-10H2,1H3,(H,19,21).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide?
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 109063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).