N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C22H16F5NO3S — CID 165012143

IUPACN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H16F5NO3S/c1-13(29)16-7-5-14(6-8-16)11-28(12-15-3-2-4-17(23)9-15)32(30,31)19-10-18(24)20(25)22(27)21(19)26/h2-10H,11-12H2,1H3
InChIKeyLIUBOGUQHWMWPK-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.98
Rot. Bonds7

About N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide

N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 165012143) has the molecular formula C22H16F5NO3S and a molecular weight of 469.43 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID165012143
Molecular FormulaC22H16F5NO3S
Molecular Weight469.43 g/mol
Exact Mass469.08
IUPAC NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H16F5NO3S/c1-13(29)16-7-5-14(6-8-16)11-28(12-15-3-2-4-17(23)9-15)32(30,31)19-10-18(24)20(25)22(27)21(19)26/h2-10H,11-12H2,1H3
InChIKeyLIUBOGUQHWMWPK-UHFFFAOYSA-N
XLogP4.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 165012143) is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(CN(Cc2cccc(F)c2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is LIUBOGUQHWMWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NO3S/c1-13(29)16-7-5-14(6-8-16)11-28(12-15-3-2-4-17(23)9-15)32(30,31)19-10-18(24)20(25)22(27)21(19)26/h2-10H,11-12H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 469.43 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 165012143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).