4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C21H19FN2O5S — CID 4088492

IUPAC4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C21H19FN2O5S/c1-28-18-10-7-16(8-11-18)24-30(26,27)20-13-17(9-12-19(20)29-2)23-21(25)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3,(H,23,25)
InChIKeyWSZIQTVENBULME-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.90
Rot. Bonds7

About 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 4088492) has the molecular formula C21H19FN2O5S and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID4088492
Molecular FormulaC21H19FN2O5S
Molecular Weight430.46 g/mol
Exact Mass430.10
IUPAC Name4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1
InChIInChI=1S/C21H19FN2O5S/c1-28-18-10-7-16(8-11-18)24-30(26,27)20-13-17(9-12-19(20)29-2)23-21(25)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3,(H,23,25)
InChIKeyWSZIQTVENBULME-UHFFFAOYSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 4088492) is 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC)cc1.
What is the InChIKey of 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is WSZIQTVENBULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5S/c1-28-18-10-7-16(8-11-18)24-30(26,27)20-13-17(9-12-19(20)29-2)23-21(25)14-3-5-15(22)6-4-14/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4088492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).