N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide

C21H19FN2O3S — CID 1333982

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C21H19FN2O3S/c1-14-3-8-19(13-15(14)2)24-28(26,27)20-11-9-18(10-12-20)23-21(25)16-4-6-17(22)7-5-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLECIWKLLFZMALP-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.50
Rot. Bonds5

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide (PubChem CID 1333982) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide
PubChem CID1333982
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C
InChIInChI=1S/C21H19FN2O3S/c1-14-3-8-19(13-15(14)2)24-28(26,27)20-11-9-18(10-12-20)23-21(25)16-4-6-17(22)7-5-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLECIWKLLFZMALP-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide (CID 1333982) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The InChIKey is LECIWKLLFZMALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-14-3-8-19(13-15(14)2)24-28(26,27)20-11-9-18(10-12-20)23-21(25)16-4-6-17(22)7-5-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide has a molecular weight of 398.46 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 1333982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).