3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide

C50H40Cl2F4N4O7S2 — CID 160871309

About 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide

3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide (PubChem CID 160871309) has the molecular formula C50H40Cl2F4N4O7S2 and a molecular weight of 1019.92 g/mol. Its IUPAC name is 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide.

Molecular Properties

• Compound Name: 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide
• PubChem CID: 160871309
• Molecular Formula: C50H40Cl2F4N4O7S2
• Molecular Weight: 1019.92 g/mol
• Exact Mass: 1018.17
• IUPAC Name: 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide
• SMILES: CC(=O)NS(=O)(=O)c1cccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)c1.Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1-c1cccc(S(N)(=O)=O)c1
• InChI: InChI=1S/C26H21ClF2N2O4S.C24H19ClF2N2O3S/c1-16-6-10-25(31(16)21-4-3-5-22(14-21)36(33,34)30-17(2)32)23-12-19(27)8-11-26(23)35-15-18-7-9-20(28)13-24(18)29;1-15-5-9-23(29(15)19-3-2-4-20(13-19)33(28,30)31)21-11-17(25)7-10-24(21)32-14-16-6-8-18(26)12-22(16)27/h3-14H,15H2,1-2H3,(H,30,32);2-13H,14H2,1H3,(H2,28,30,31)
• InChIKey: SLUIZBOZDPMXJQ-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 151.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.92
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide?

The IUPAC name of 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide (CID 160871309) is 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide.

What is the SMILES notation for 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide?

The canonical SMILES for 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1cccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2F)c1.Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2F)n1-c1cccc(S(N)(=O)=O)c1.

What is the InChIKey of 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide?

The InChIKey is SLUIZBOZDPMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N2O4S.C24H19ClF2N2O3S/c1-16-6-10-25(31(16)21-4-3-5-22(14-21)36(33,34)30-17(2)32)23-12-19(27)8-11-26(23)35-15-18-7-9-20(28)13-24(18)29;1-15-5-9-23(29(15)19-3-2-4-20(13-19)33(28,30)31)21-11-17(25)7-10-24(21)32-14-16-6-8-18(26)12-22(16)27/h3-14H,15H2,1-2H3,(H,30,32);2-13H,14H2,1H3,(H2,28,30,31).

What are the key properties of 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide?

3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide has a molecular weight of 1019.92 g/mol, XLogP of 11.40, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzenesulfonamide;N-[3-[2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 160871309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).