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

C110H92F26N6O18S6 — CID 164976968

IUPACN-[(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
SMILESCC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H17F4NO3S.C18H16F5NO3S.2C18H15F4NO3S.C18H17F4NO3S.C16H12F5NO3S/c1-14(28)17-9-7-16(8-10-17)13-27(12-15-5-3-2-4-6-15)31(29,30)19-11-18(23)20(24)22(26)21(19)25;1-9(2)24(8-11-4-6-12(7-5-11)10(3)25)28(26,27)18-16(22)14(20)13(19)15(21)17(18)23;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)18-16(21)14(19)8-15(20)17(18)22;1-10(2)23(9-12-4-6-13(7-5-12)11(3)24)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-8(23)10-5-3-9(4-6-10)7-22(2)26(24,25)16-14(20)12(18)11(17)13(19)15(16)21/h2-11H,12-13H2,1H3;4-7,9H,8H2,1-3H3;2*2-5,8,13H,6-7,9H2,1H3;4-8,10H,9H2,1-3H3;3-6H,7H2,1-2H3
InChIKeyDXSQKLWVCGKYKH-UHFFFAOYSA-N
MW2472.32 g/mol
LogP24.07
Rot. Bonds36

About 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

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 (PubChem CID 164976968) has the molecular formula C110H92F26N6O18S6 and a molecular weight of 2472.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID164976968
Molecular FormulaC110H92F26N6O18S6
Molecular Weight2472.32 g/mol
Exact Mass2470.44
IUPAC NameN-[(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
SMILESCC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C22H17F4NO3S.C18H16F5NO3S.2C18H15F4NO3S.C18H17F4NO3S.C16H12F5NO3S/c1-14(28)17-9-7-16(8-10-17)13-27(12-15-5-3-2-4-6-15)31(29,30)19-11-18(23)20(24)22(26)21(19)25;1-9(2)24(8-11-4-6-12(7-5-11)10(3)25)28(26,27)18-16(22)14(20)13(19)15(21)17(18)23;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)18-16(21)14(19)8-15(20)17(18)22;1-10(2)23(9-12-4-6-13(7-5-12)11(3)24)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-8(23)10-5-3-9(4-6-10)7-22(2)26(24,25)16-14(20)12(18)11(17)13(19)15(16)21/h2-11H,12-13H2,1H3;4-7,9H,8H2,1-3H3;2*2-5,8,13H,6-7,9H2,1H3;4-8,10H,9H2,1-3H3;3-6H,7H2,1-2H3
InChIKeyDXSQKLWVCGKYKH-UHFFFAOYSA-N
XLogP24.07
TPSA326.70 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002472.32
LogP ≤ 524.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C(C)C)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1.CC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 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?
The InChIKey is DXSQKLWVCGKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4NO3S.C18H16F5NO3S.2C18H15F4NO3S.C18H17F4NO3S.C16H12F5NO3S/c1-14(28)17-9-7-16(8-10-17)13-27(12-15-5-3-2-4-6-15)31(29,30)19-11-18(23)20(24)22(26)21(19)25;1-9(2)24(8-11-4-6-12(7-5-11)10(3)25)28(26,27)18-16(22)14(20)13(19)15(21)17(18)23;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-10(24)12-4-2-11(3-5-12)9-23(13-6-7-13)27(25,26)18-16(21)14(19)8-15(20)17(18)22;1-10(2)23(9-12-4-6-13(7-5-12)11(3)24)27(25,26)15-8-14(19)16(20)18(22)17(15)21;1-8(23)10-5-3-9(4-6-10)7-22(2)26(24,25)16-14(20)12(18)11(17)13(19)15(16)21/h2-11H,12-13H2,1H3;4-7,9H,8H2,1-3H3;2*2-5,8,13H,6-7,9H2,1H3;4-8,10H,9H2,1-3H3;3-6H,7H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2472.32 g/mol, XLogP of 24.07, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164976968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).