4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide

C22H21FN2O3S — CID 1012731

IUPAC4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C22H21FN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)20-10-8-19(9-11-20)24-22(26)17-4-6-18(23)7-5-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyFIBXWJYEYXTNGL-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.80
Rot. Bonds5

About 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide

4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1012731) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID1012731
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1
InChIInChI=1S/C22H21FN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)20-10-8-19(9-11-20)24-22(26)17-4-6-18(23)7-5-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyFIBXWJYEYXTNGL-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide (CID 1012731) is 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C)c1.
What is the InChIKey of 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is FIBXWJYEYXTNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-14-12-15(2)21(16(3)13-14)25-29(27,28)20-10-8-19(9-11-20)24-22(26)17-4-6-18(23)7-5-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide?
4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1012731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).