3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

C15H15FN2O4S — CID 110761105

IUPAC3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-22-14-7-4-11(8-13(14)16)15(19)18-9-10-2-5-12(6-3-10)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyZTVNSQZOHUXRKK-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.41
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide

3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 110761105) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID110761105
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-22-14-7-4-11(8-13(14)16)15(19)18-9-10-2-5-12(6-3-10)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyZTVNSQZOHUXRKK-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779968
3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783651
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
4-methoxy-2,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110763175
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 110761105) is 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is ZTVNSQZOHUXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-22-14-7-4-11(8-13(14)16)15(19)18-9-10-2-5-12(6-3-10)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide?
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 338.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 110761105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).