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

C22H16F5NO3S — CID 165080503

IUPACN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H16F5NO3S/c1-13(29)16-6-2-14(3-7-16)11-28(12-15-4-8-17(23)9-5-15)32(30,31)19-10-18(24)20(25)22(27)21(19)26/h2-10H,11-12H2,1H3
InChIKeyAGJIEPCCHKYMEG-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.98
Rot. Bonds7

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

N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 165080503) 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-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID165080503
Molecular FormulaC22H16F5NO3S
Molecular Weight469.43 g/mol
Exact Mass469.08
IUPAC NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H16F5NO3S/c1-13(29)16-6-2-14(3-7-16)11-28(12-15-4-8-17(23)9-5-15)32(30,31)19-10-18(24)20(25)22(27)21(19)26/h2-10H,11-12H2,1H3
InChIKeyAGJIEPCCHKYMEG-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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Related Compounds

N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
CID 155699554
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459
4-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431460
3-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431477
4-fluoro-N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155532736
N-[[4-[[[4-(diethylaminomethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155542286
4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155567744
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-fluoro-benzamide
CID 130431454
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-fluoro-benzamide
CID 130431465
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-methyl-benzamide
CID 130431475
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-methyl-benzamide
CID 130431480
2-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431483

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 165080503) is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(CN(Cc2ccc(F)cc2)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-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is AGJIEPCCHKYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NO3S/c1-13(29)16-6-2-14(3-7-16)11-28(12-15-4-8-17(23)9-5-15)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-[(4-fluorophenyl)methyl]benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(4-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-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 165080503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).