5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride

C92H109Cl3N10O23S4 — CID 160996544

IUPAC5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride
SMILESC.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)OC)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.COC(=O)c1cc(N)ccc1C.COC(=O)c1cc([N+](=O)[O-])ccc1C.Cc1ccc([N+](=O)[O-])cc1C(=O)O.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C24H22ClN3O3S.C13H9ClN2.C12H17NO4S.C11H15NO4S.C9H9NO4.C9H11NO2.C8H7NO4.C3H7ClO2S.3CH4/c1-3-10-32(30,31)28-19-9-4-15(2)20(12-19)23(29)22-14-27-24-21(22)11-17(13-26-24)16-5-7-18(25)8-6-16;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-4-7-18(15,16)13-10-6-5-9(2)11(8-10)12(14)17-3;1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14;1-6-3-4-7(10(12)13)5-8(6)9(11)14-2;1-6-3-4-7(10)5-8(6)9(11)12-2;1-5-2-3-6(9(12)13)4-7(5)8(10)11;1-2-3-7(4,5)6;;;/h4-9,11-14,28H,3,10H2,1-2H3,(H,26,27);1-8H,(H,15,16);5-6,8,13H,4,7H2,1-3H3;4-5,7,12H,3,6H2,1-2H3,(H,13,14);3-5H,1-2H3;3-5H,10H2,1-2H3;2-4H,1H3,(H,10,11);2-3H2,1H3;3*1H4
InChIKeyTVIAHZANZAEIRR-UHFFFAOYSA-N
MW1957.56 g/mol
LogP20.76
Rot. Bonds25

About 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride (PubChem CID 160996544) has the molecular formula C92H109Cl3N10O23S4 and a molecular weight of 1957.56 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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride
PubChem CID160996544
Molecular FormulaC92H109Cl3N10O23S4
Molecular Weight1957.56 g/mol
Exact Mass1954.56
IUPAC Name5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride
SMILESC.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)OC)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.COC(=O)c1cc(N)ccc1C.COC(=O)c1cc([N+](=O)[O-])ccc1C.Cc1ccc([N+](=O)[O-])cc1C(=O)O.Clc1ccc(-c2cnc3[nH]ccc3c2)cc1
InChIInChI=1S/C24H22ClN3O3S.C13H9ClN2.C12H17NO4S.C11H15NO4S.C9H9NO4.C9H11NO2.C8H7NO4.C3H7ClO2S.3CH4/c1-3-10-32(30,31)28-19-9-4-15(2)20(12-19)23(29)22-14-27-24-21(22)11-17(13-26-24)16-5-7-18(25)8-6-16;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-4-7-18(15,16)13-10-6-5-9(2)11(8-10)12(14)17-3;1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14;1-6-3-4-7(10(12)13)5-8(6)9(11)14-2;1-6-3-4-7(10)5-8(6)9(11)12-2;1-5-2-3-6(9(12)13)4-7(5)8(10)11;1-2-3-7(4,5)6;;;/h4-9,11-14,28H,3,10H2,1-2H3,(H,26,27);1-8H,(H,15,16);5-6,8,13H,4,7H2,1-3H3;4-5,7,12H,3,6H2,1-2H3,(H,13,14);3-5H,1-2H3;3-5H,10H2,1-2H3;2-4H,1H3,(H,10,11);2-3H2,1H3;3*1H4
InChIKeyTVIAHZANZAEIRR-UHFFFAOYSA-N
XLogP20.76
TPSA512.88 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.56
LogP ≤ 520.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride with MolForge

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Related Compounds

5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-fluorophenyl]propane-1-sulfonamide;2-fluoro-5-nitrobenzoic acid;2-fluoro-5-(propylsulfonylamino)benzoic acid;methane;methyl 5-amino-2-fluorobenzoate;methyl 2-fluoro-5-nitrobenzoate;propane-1-sulfonyl chloride
CID 157177953
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-isocyanophenyl]propane-1-sulfonamide
CID 153288806
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;oxalic acid
CID 46940825
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;hydrochloride
CID 71617851
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 144729571
5-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-2-carboxylic acid
CID 68790095
(3-aminophenyl)-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-nitrophenyl)methanone;3-nitrobenzoyl chloride
CID 159743808
2-methyl-5-(propylsulfonylamino)benzoic acid
CID 63653698
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
N-[3-[5-(4-chloro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 118100708
N-[2,4-difluoro-3-[5-(4-fluoro-3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
CID 66646598
N-[3-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 146302395

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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride (CID 160996544) is 5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine;N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride is C.C.C.CCCS(=O)(=O)Cl.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)OC)c1.CCCS(=O)(=O)Nc1ccc(C)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1.COC(=O)c1cc(N)ccc1C.COC(=O)c1cc([N+](=O)[O-])ccc1C.Cc1ccc([N+](=O)[O-])cc1C(=O)O.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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride?
The InChIKey is TVIAHZANZAEIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S.C13H9ClN2.C12H17NO4S.C11H15NO4S.C9H9NO4.C9H11NO2.C8H7NO4.C3H7ClO2S.3CH4/c1-3-10-32(30,31)28-19-9-4-15(2)20(12-19)23(29)22-14-27-24-21(22)11-17(13-26-24)16-5-7-18(25)8-6-16;14-12-3-1-9(2-4-12)11-7-10-5-6-15-13(10)16-8-11;1-4-7-18(15,16)13-10-6-5-9(2)11(8-10)12(14)17-3;1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14;1-6-3-4-7(10(12)13)5-8(6)9(11)14-2;1-6-3-4-7(10)5-8(6)9(11)12-2;1-5-2-3-6(9(12)13)4-7(5)8(10)11;1-2-3-7(4,5)6;;;/h4-9,11-14,28H,3,10H2,1-2H3,(H,26,27);1-8H,(H,15,16);5-6,8,13H,4,7H2,1-3H3;4-5,7,12H,3,6H2,1-2H3,(H,13,14);3-5H,1-2H3;3-5H,10H2,1-2H3;2-4H,1H3,(H,10,11);2-3H2,1H3;3*1H4.
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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride has a molecular weight of 1957.56 g/mol, XLogP of 20.76, 25 rotatable bonds, 8 hydrogen bond donors, and 24 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]-4-methylphenyl]propane-1-sulfonamide;methane;methyl 5-amino-2-methylbenzoate;methyl 2-methyl-5-nitrobenzoate;methyl 2-methyl-5-(propylsulfonylamino)benzoate;2-methyl-5-nitrobenzoic acid;2-methyl-5-(propylsulfonylamino)benzoic acid;propane-1-sulfonyl chloride is sourced from PubChem (CID 160996544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).