5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide

C16H17FN2O4S — CID 53282833

IUPAC5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-18-16(20)13-9-12(7-8-15(13)23-2)24(21,22)19-10-11-5-3-4-6-14(11)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyKMGTYULGDWGVPZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.67
Rot. Bonds6

About 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide

5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide (PubChem CID 53282833) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
PubChem CID53282833
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC
InChIInChI=1S/C16H17FN2O4S/c1-18-16(20)13-9-12(7-8-15(13)23-2)24(21,22)19-10-11-5-3-4-6-14(11)17/h3-9,19H,10H2,1-2H3,(H,18,20)
InChIKeyKMGTYULGDWGVPZ-UHFFFAOYSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
CID 92678172
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide (CID 53282833) is 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2F)ccc1OC.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
The InChIKey is KMGTYULGDWGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-18-16(20)13-9-12(7-8-15(13)23-2)24(21,22)19-10-11-5-3-4-6-14(11)17/h3-9,19H,10H2,1-2H3,(H,18,20).
What are the key properties of 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide?
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 53282833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).