5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride

C74H78Cl3F6N7O15S4 — CID 160700344

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride (PubChem CID 160700344) has the molecular formula C74H78Cl3F6N7O15S4 and a molecular weight of 1654.09 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride
• PubChem CID: 160700344
• Molecular Formula: C74H78Cl3F6N7O15S4
• Molecular Weight: 1654.09 g/mol
• Exact Mass: 1651.34
• IUPAC Name: 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride
• SMILES: CC(C)CS(=O)(=O)Cc1ccc(F)c(C(=O)O)c1F.CC(C)CS(=O)(=O)Cl.CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.COC(=O)c1c(F)ccc(NS(=O)(=O)CC(C)C)c1F.COC(=O)c1cc(C)cc(N)c1.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C24H20ClF2N3O3S.C13H9ClN2.C12H15F2NO4S.C12H14F2O4S.C9H11NO2.C4H9ClO2S/c1-13(2)12-34(32,33)30-20-8-7-19(26)21(22(20)27)23(31)18-11-29-24-17(18)9-15(10-28-24)14-3-5-16(25)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-7(2)6-20(17,18)15-9-5-4-8(13)10(11(9)14)12(16)19-3;1-7(2)5-19(17,18)6-8-3-4-9(13)10(11(8)14)12(15)16;1-6-3-7(9(11)12-2)5-8(10)4-6;1-4(2)3-8(5,6)7/h3-11,13,30H,12H2,1-2H3,(H,28,29);1-8H,(H,15,16);4-5,7,15H,6H2,1-3H3;3-4,7H,5-6H2,1-2H3,(H,15,16);3-5H,10H2,1-2H3;4H,3H2,1-2H3
• InChIKey: RQNNZVWEOIYSDA-UHFFFAOYSA-N
• XLogP: 16.63
• TPSA: 350.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.09
LogP ≤ 5	16.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride?

The IUPAC name of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride (CID 160700344) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride.

What is the SMILES notation for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride?

The canonical SMILES for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride is CC(C)CS(=O)(=O)Cc1ccc(F)c(C(=O)O)c1F.CC(C)CS(=O)(=O)Cl.CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.COC(=O)c1c(F)ccc(NS(=O)(=O)CC(C)C)c1F.COC(=O)c1cc(C)cc(N)c1.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride?

The InChIKey is RQNNZVWEOIYSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O3S.C13H9ClN2.C12H15F2NO4S.C12H14F2O4S.C9H11NO2.C4H9ClO2S/c1-13(2)12-34(32,33)30-20-8-7-19(26)21(22(20)27)23(31)18-11-29-24-17(18)9-15(10-28-24)14-3-5-16(25)6-4-14;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-7(2)6-20(17,18)15-9-5-4-8(13)10(11(9)14)12(16)19-3;1-7(2)5-19(17,18)6-8-3-4-9(13)10(11(8)14)12(15)16;1-6-3-7(9(11)12-2)5-8(10)4-6;1-4(2)3-8(5,6)7/h3-11,13,30H,12H2,1-2H3,(H,28,29);1-8H,(H,15,16);4-5,7,15H,6H2,1-3H3;3-4,7H,5-6H2,1-2H3,(H,15,16);3-5H,10H2,1-2H3;4H,3H2,1-2H3.

What are the key properties of 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride?

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride has a molecular weight of 1654.09 g/mol, XLogP of 16.63, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide;2,6-difluoro-3-(2-methylpropylsulfonylmethyl)benzoic acid;methyl 3-amino-5-methylbenzoate;methyl 2,6-difluoro-3-(2-methylpropylsulfonylamino)benzoate;2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 160700344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).