5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate

C93H72ClF15N6O21S5 — CID 159550270

About 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate

5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate (PubChem CID 159550270) has the molecular formula C93H72ClF15N6O21S5 and a molecular weight of 2090.38 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate
• PubChem CID: 159550270
• Molecular Formula: C93H72ClF15N6O21S5
• Molecular Weight: 2090.38 g/mol
• Exact Mass: 2088.28
• IUPAC Name: 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate
• SMILES: CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC.COC(=O)c1c[nH]c(-c2ccc(F)cc2F)c1OC.COC(=O)c1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC.COc1c(C=O)cn(S(=O)(=O)c2cccc(F)c2)c1-c1ccc(F)cc1F.COc1c(CO)cn(S(=O)(=O)c2cccc(F)c2)c1-c1ccc(F)cc1F.O=S(=O)(Cl)c1cccc(F)c1
• InChI: InChI=1S/C19H17F3N2O3S.C19H14F3NO5S.C18H14F3NO4S.C18H12F3NO4S.C13H11F2NO3.C6H4ClFO2S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22;1-27-18-15(19(24)28-2)10-23(17(18)14-7-6-12(21)9-16(14)22)29(25,26)13-5-3-4-11(20)8-13;2*1-26-18-11(10-23)9-22(17(18)15-6-5-13(20)8-16(15)21)27(24,25)14-4-2-3-12(19)7-14;1-18-12-9(13(17)19-2)6-16-11(12)8-4-3-7(14)5-10(8)15;7-11(9,10)6-3-1-2-5(8)4-6/h3-9,11,23H,10H2,1-2H3;3-10H,1-2H3;2-9,23H,10H2,1H3;2-10H,1H3;3-6,16H,1-2H3;1-4H
• InChIKey: MFHLEMVYZAGBFJ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 354.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2090.38
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate?

The IUPAC name of 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate (CID 159550270) is 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate.

What is the SMILES notation for 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate?

The canonical SMILES for 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate is CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC.COC(=O)c1c[nH]c(-c2ccc(F)cc2F)c1OC.COC(=O)c1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC.COc1c(C=O)cn(S(=O)(=O)c2cccc(F)c2)c1-c1ccc(F)cc1F.COc1c(CO)cn(S(=O)(=O)c2cccc(F)c2)c1-c1ccc(F)cc1F.O=S(=O)(Cl)c1cccc(F)c1.

What is the InChIKey of 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate?

The InChIKey is MFHLEMVYZAGBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S.C19H14F3NO5S.C18H14F3NO4S.C18H12F3NO4S.C13H11F2NO3.C6H4ClFO2S/c1-23-10-12-11-24(28(25,26)15-5-3-4-13(20)8-15)18(19(12)27-2)16-7-6-14(21)9-17(16)22;1-27-18-15(19(24)28-2)10-23(17(18)14-7-6-12(21)9-16(14)22)29(25,26)13-5-3-4-11(20)8-13;2*1-26-18-11(10-23)9-22(17(18)15-6-5-13(20)8-16(15)21)27(24,25)14-4-2-3-12(19)7-14;1-18-12-9(13(17)19-2)6-16-11(12)8-4-3-7(14)5-10(8)15;7-11(9,10)6-3-1-2-5(8)4-6/h3-9,11,23H,10H2,1-2H3;3-10H,1-2H3;2-9,23H,10H2,1H3;2-10H,1H3;3-6,16H,1-2H3;1-4H.

What are the key properties of 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate?

5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate has a molecular weight of 2090.38 g/mol, XLogP of 18.59, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carbaldehyde;[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]methanol;1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;3-fluorobenzenesulfonyl chloride;methyl 5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrole-3-carboxylate;methyl 5-(2,4-difluorophenyl)-4-methoxy-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 159550270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).