4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide

C14H13FN2O4S — CID 38770534

IUPAC4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H13FN2O4S/c1-21-11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(7-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJLUIVABUOGACPQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.73
Rot. Bonds4

About 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide

4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide (PubChem CID 38770534) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide
PubChem CID38770534
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1
InChIInChI=1S/C14H13FN2O4S/c1-21-11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(7-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeyJLUIVABUOGACPQ-UHFFFAOYSA-N
XLogP1.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide (CID 38770534) is 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide is COc1cccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide?
The InChIKey is JLUIVABUOGACPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-21-11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(7-9)22(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide?
4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide has a molecular weight of 324.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxyphenyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 38770534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).