4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane

C108H99ClF10N4O13S5 — CID 158163353

About 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane

4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane (PubChem CID 158163353) has the molecular formula C108H99ClF10N4O13S5 and a molecular weight of 2046.76 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane.

Molecular Properties

• Compound Name: 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane
• PubChem CID: 158163353
• Molecular Formula: C108H99ClF10N4O13S5
• Molecular Weight: 2046.76 g/mol
• Exact Mass: 2044.53
• IUPAC Name: 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane
• SMILES: C.C=Cc1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.C=Cc1cccc(N)c1.CN.CNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.CNCC(O)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.O=S(=O)(Cc1cccc(C2CO2)c1)c1ccc(-c2ccc(F)cc2F)cc1.O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2F)cc1
• InChI: InChI=1S/2C22H21F2NO3S.C21H16F2O3S.C21H16F2O2S.C12H7ClF2O2S.C8H9N.CH5N.CH4/c1-25-22(13-26)17-4-2-3-15(11-17)14-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24;1-25-13-22(26)17-4-2-3-15(11-17)14-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24;22-17-6-9-19(20(23)11-17)15-4-7-18(8-5-15)27(24,25)13-14-2-1-3-16(10-14)21-12-26-21;1-2-15-4-3-5-16(12-15)14-26(24,25)19-9-6-17(7-10-19)20-11-8-18(22)13-21(20)23;13-18(16,17)10-4-1-8(2-5-10)11-6-3-9(14)7-12(11)15;1-2-7-4-3-5-8(9)6-7;1-2;/h2*2-12,22,25-26H,13-14H2,1H3;1-11,21H,12-13H2;2-13H,1,14H2;1-7H;2-6H,1,9H2;2H2,1H3;1H4
• InChIKey: FWNSRNXTMWOUHY-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 299.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.76
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane?

The IUPAC name of 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane (CID 158163353) is 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane.

What is the SMILES notation for 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane?

The canonical SMILES for 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane is C.C=Cc1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.C=Cc1cccc(N)c1.CN.CNC(CO)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.CNCC(O)c1cccc(CS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1.O=S(=O)(Cc1cccc(C2CO2)c1)c1ccc(-c2ccc(F)cc2F)cc1.O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2F)cc1.

What is the InChIKey of 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane?

The InChIKey is FWNSRNXTMWOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F2NO3S.C21H16F2O3S.C21H16F2O2S.C12H7ClF2O2S.C8H9N.CH5N.CH4/c1-25-22(13-26)17-4-2-3-15(11-17)14-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24;1-25-13-22(26)17-4-2-3-15(11-17)14-29(27,28)19-8-5-16(6-9-19)20-10-7-18(23)12-21(20)24;22-17-6-9-19(20(23)11-17)15-4-7-18(8-5-15)27(24,25)13-14-2-1-3-16(10-14)21-12-26-21;1-2-15-4-3-5-16(12-15)14-26(24,25)19-9-6-17(7-10-19)20-11-8-18(22)13-21(20)23;13-18(16,17)10-4-1-8(2-5-10)11-6-3-9(14)7-12(11)15;1-2-7-4-3-5-8(9)6-7;1-2;/h2*2-12,22,25-26H,13-14H2,1H3;1-11,21H,12-13H2;2-13H,1,14H2;1-7H;2-6H,1,9H2;2H2,1H3;1H4.

What are the key properties of 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane?

4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane has a molecular weight of 2046.76 g/mol, XLogP of 23.32, 27 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-difluorophenyl)benzenesulfonyl chloride;1-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]-2-(methylamino)ethanol;2-[3-[[4-(2,4-difluorophenyl)phenyl]sulfonylmethyl]phenyl]oxirane;3-ethenylaniline;1-[4-[(3-ethenylphenyl)methylsulfonyl]phenyl]-2,4-difluorobenzene;methanamine;methane is sourced from PubChem (CID 158163353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).