2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C20H13F5N2O3S — CID 2181065

IUPAC2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1
InChIInChI=1S/C20H13F5N2O3S/c1-10-2-8-13(9-3-10)31(29,30)27-12-6-4-11(5-7-12)26-20(28)14-15(21)17(23)19(25)18(24)16(14)22/h2-9,27H,1H3,(H,26,28)
InChIKeySUJMTUICLIKJNI-UHFFFAOYSA-N
MW456.39 g/mol
LogP4.74
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 2181065) has the molecular formula C20H13F5N2O3S and a molecular weight of 456.39 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID2181065
Molecular FormulaC20H13F5N2O3S
Molecular Weight456.39 g/mol
Exact Mass456.06
IUPAC Name2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1
InChIInChI=1S/C20H13F5N2O3S/c1-10-2-8-13(9-3-10)31(29,30)27-12-6-4-11(5-7-12)26-20(28)14-15(21)17(23)19(25)18(24)16(14)22/h2-9,27H,1H3,(H,26,28)
InChIKeySUJMTUICLIKJNI-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.39
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
Sulfonamide deriv., 7d
CID 44520901
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 2181065) is 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is SUJMTUICLIKJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O3S/c1-10-2-8-13(9-3-10)31(29,30)27-12-6-4-11(5-7-12)26-20(28)14-15(21)17(23)19(25)18(24)16(14)22/h2-9,27H,1H3,(H,26,28).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 456.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 2181065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).