sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride

C97H71Cl11F6N9NaO20S4 — CID 157101804

About sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride

sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride (PubChem CID 157101804) has the molecular formula C97H71Cl11F6N9NaO20S4 and a molecular weight of 2337.91 g/mol. Its IUPAC name is sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride
• PubChem CID: 157101804
• Molecular Formula: C97H71Cl11F6N9NaO20S4
• Molecular Weight: 2337.91 g/mol
• Exact Mass: 2331.01
• IUPAC Name: sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride
• SMILES: C.CC(=O)CCl.CC(=O)CS(=O)(=O)Cl.CC(=O)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CC(=O)CS(=O)(=O)[O-].CC(O)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.[Na+]
• InChI: InChI=1S/C30H20Cl3F2N3O5S.C30H18Cl3F2N3O5S.C27H14Cl3F2N3O2.C3H5ClO3S.C3H5ClO.C3H6O4S.CH4.Na/c2*1-15(39)14-44(42,43)37-24-10-9-23(34)26(27(24)35)28(40)20-13-38(30(41)25-21(32)3-2-4-22(25)33)29-19(20)11-17(12-36-29)16-5-7-18(31)8-6-16;28-15-6-4-13(5-7-15)14-10-16-17(25(36)23-20(31)8-9-21(33)24(23)32)12-35(26(16)34-11-14)27(37)22-18(29)2-1-3-19(22)30;1-3(5)2-8(4,6)7;1-3(5)2-4;1-3(4)2-8(5,6)7;;/h2-13,15,37,39H,14H2,1H3;2-13,37H,14H2,1H3;1-12H,33H2;2H2,1H3;2H2,1H3;2H2,1H3,(H,5,6,7);1H4;/q;;;;;;;+1/p-1
• InChIKey: AFVQMZPBRLGGFB-UHFFFAOYSA-M
• XLogP: 19.34
• TPSA: 454.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2337.91
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride?

The IUPAC name of sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride (CID 157101804) is sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride.

What is the SMILES notation for sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride?

The canonical SMILES for sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride is C.CC(=O)CCl.CC(=O)CS(=O)(=O)Cl.CC(=O)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.CC(=O)CS(=O)(=O)[O-].CC(O)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.Nc1ccc(F)c(C(=O)c2cn(C(=O)c3c(Cl)cccc3Cl)c3ncc(-c4ccc(Cl)cc4)cc23)c1F.[Na+].

What is the InChIKey of sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride?

The InChIKey is AFVQMZPBRLGGFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H20Cl3F2N3O5S.C30H18Cl3F2N3O5S.C27H14Cl3F2N3O2.C3H5ClO3S.C3H5ClO.C3H6O4S.CH4.Na/c2*1-15(39)14-44(42,43)37-24-10-9-23(34)26(27(24)35)28(40)20-13-38(30(41)25-21(32)3-2-4-22(25)33)29-19(20)11-17(12-36-29)16-5-7-18(31)8-6-16;28-15-6-4-13(5-7-15)14-10-16-17(25(36)23-20(31)8-9-21(33)24(23)32)12-35(26(16)34-11-14)27(37)22-18(29)2-1-3-19(22)30;1-3(5)2-8(4,6)7;1-3(5)2-4;1-3(4)2-8(5,6)7;;/h2-13,15,37,39H,14H2,1H3;2-13,37H,14H2,1H3;1-12H,33H2;2H2,1H3;2H2,1H3;2H2,1H3,(H,5,6,7);1H4;/q;;;;;;;+1/p-1.

What are the key properties of sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride?

sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride has a molecular weight of 2337.91 g/mol, XLogP of 19.34, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3-amino-2,6-difluorophenyl)-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-hydroxypropane-1-sulfonamide;N-[3-[5-(4-chlorophenyl)-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-oxopropane-1-sulfonamide;1-chloropropan-2-one;methane;2-oxopropane-1-sulfonate;2-oxopropane-1-sulfonyl chloride is sourced from PubChem (CID 157101804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).