N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C106H80F22N10O15S5 — CID 165017928

IUPACN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(CN(CCc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H18F4N2O3S.2C21H15F5N2O3S.2C21H16F4N2O3S/c1-14(29)17-6-4-16(5-7-17)13-28(10-8-15-3-2-9-27-12-15)32(30,31)19-11-18(23)20(24)22(26)21(19)25;1-12(29)14-4-2-13(3-5-14)10-28(11-15-6-7-27-9-17(15)23)32(30,31)18-8-16(22)19(24)21(26)20(18)25;1-12(29)14-6-4-13(5-7-14)10-28(11-15-3-2-8-27-21(15)26)32(30,31)17-9-16(22)18(23)20(25)19(17)24;1-13(28)16-4-2-14(3-5-16)11-27(12-15-6-8-26-9-7-15)31(29,30)18-10-17(22)19(23)21(25)20(18)24;1-13(28)16-6-4-14(5-7-16)11-27(12-15-3-2-8-26-10-15)31(29,30)18-9-17(22)19(23)21(25)20(18)24/h2-7,9,11-12H,8,10,13H2,1H3;2*2-9H,10-11H2,1H3;2*2-10H,11-12H2,1H3
InChIKeyKSJSZZUHGZPZHG-UHFFFAOYSA-N
MW2312.15 g/mol
LogP21.48
Rot. Bonds36

About N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide

N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 165017928) has the molecular formula C106H80F22N10O15S5 and a molecular weight of 2312.15 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID165017928
Molecular FormulaC106H80F22N10O15S5
Molecular Weight2312.15 g/mol
Exact Mass2310.41
IUPAC NameN-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(CN(CCc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H18F4N2O3S.2C21H15F5N2O3S.2C21H16F4N2O3S/c1-14(29)17-6-4-16(5-7-17)13-28(10-8-15-3-2-9-27-12-15)32(30,31)19-11-18(23)20(24)22(26)21(19)25;1-12(29)14-4-2-13(3-5-14)10-28(11-15-6-7-27-9-17(15)23)32(30,31)18-8-16(22)19(24)21(26)20(18)25;1-12(29)14-6-4-13(5-7-14)10-28(11-15-3-2-8-27-21(15)26)32(30,31)17-9-16(22)18(23)20(25)19(17)24;1-13(28)16-4-2-14(3-5-16)11-27(12-15-6-8-26-9-7-15)31(29,30)18-10-17(22)19(23)21(25)20(18)24;1-13(28)16-6-4-14(5-7-16)11-27(12-15-3-2-8-26-10-15)31(29,30)18-9-17(22)19(23)21(25)20(18)24/h2-7,9,11-12H,8,10,13H2,1H3;2*2-9H,10-11H2,1H3;2*2-10H,11-12H2,1H3
InChIKeyKSJSZZUHGZPZHG-UHFFFAOYSA-N
XLogP21.48
TPSA336.70 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.15
LogP ≤ 521.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide with MolForge

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Related Compounds

N-hydroxy-4-[[pyridin-3-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155144635
4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CID 155155872
N-[3-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55366801
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
N-[(4-acetylphenyl)methyl]-N-benzyl-2,3,4,5-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,4,5-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-N-cyclopropyl-2,3,5,6-tetrafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-methylbenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-propan-2-ylbenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-propan-2-ylbenzenesulfonamide
CID 164976968
N-hydroxy-4-[[2-methylpropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155155859
3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 171387338
2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
3-[benzyl(2-phenylethyl)sulfamoyl]-4-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 4089868
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110424688

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 165017928) is N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(CN(CCc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2F)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccncc2F)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-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is KSJSZZUHGZPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O3S.2C21H15F5N2O3S.2C21H16F4N2O3S/c1-14(29)17-6-4-16(5-7-17)13-28(10-8-15-3-2-9-27-12-15)32(30,31)19-11-18(23)20(24)22(26)21(19)25;1-12(29)14-4-2-13(3-5-14)10-28(11-15-6-7-27-9-17(15)23)32(30,31)18-8-16(22)19(24)21(26)20(18)25;1-12(29)14-6-4-13(5-7-14)10-28(11-15-3-2-8-27-21(15)26)32(30,31)17-9-16(22)18(23)20(25)19(17)24;1-13(28)16-4-2-14(3-5-16)11-27(12-15-6-8-26-9-7-15)31(29,30)18-10-17(22)19(23)21(25)20(18)24;1-13(28)16-6-4-14(5-7-16)11-27(12-15-3-2-8-26-10-15)31(29,30)18-9-17(22)19(23)21(25)20(18)24/h2-7,9,11-12H,8,10,13H2,1H3;2*2-9H,10-11H2,1H3;2*2-10H,11-12H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 2312.15 g/mol, XLogP of 21.48, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(2-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(3-fluoro-4-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(2-pyridin-3-ylethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 165017928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).