4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide

C27H23FN2O4S — CID 3407821

IUPAC4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2F)cc1
InChIInChI=1S/C27H23FN2O4S/c1-19-7-9-20(10-8-19)18-29-35(32,33)26-17-21(11-16-25(26)28)27(31)30-22-12-14-24(15-13-22)34-23-5-3-2-4-6-23/h2-17,29H,18H2,1H3,(H,30,31)
InChIKeyHEWHDAQIWOYDFL-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.66
Rot. Bonds8

About 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide

4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide (PubChem CID 3407821) has the molecular formula C27H23FN2O4S and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
PubChem CID3407821
Molecular FormulaC27H23FN2O4S
Molecular Weight490.56 g/mol
Exact Mass490.14
IUPAC Name4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2F)cc1
InChIInChI=1S/C27H23FN2O4S/c1-19-7-9-20(10-8-19)18-29-35(32,33)26-17-21(11-16-25(26)28)27(31)30-22-12-14-24(15-13-22)34-23-5-3-2-4-6-23/h2-17,29H,18H2,1H3,(H,30,31)
InChIKeyHEWHDAQIWOYDFL-UHFFFAOYSA-N
XLogP5.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92647831
3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide;hydrochloride
CID 126479373
3-(benzylsulfamoyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methylbenzamide
CID 30860385
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 3526066
4-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)benzamide
CID 27006017
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 24635072

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide (CID 3407821) is 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide is Cc1ccc(CNS(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is HEWHDAQIWOYDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O4S/c1-19-7-9-20(10-8-19)18-29-35(32,33)26-17-21(11-16-25(26)28)27(31)30-22-12-14-24(15-13-22)34-23-5-3-2-4-6-23/h2-17,29H,18H2,1H3,(H,30,31).
What are the key properties of 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide?
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 490.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 3407821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).