N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

C166H136ClF16N27O24S8 — CID 167611973

IUPACN-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(-c5nn[nH]n5)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C)cc23)c1F
InChIInChI=1S/C24H20ClF2N3O4S.C24H20F3N3O3S.C24H19F2N7O3S.C24H18F2N4O3S.C24H21F2N3O3S.C23H18F3N3O3S.C23H20F2N4O5S2/c1-3-8-35(32,33)30-22-20(26)7-6-16(21(22)27)23(31)18-12-29-24-17(18)9-13(11-28-24)15-5-4-14(34-2)10-19(15)25;1-3-8-34(32,33)30-22-20(26)7-6-17(21(22)27)23(31)19-12-29-24-18(19)10-14(11-28-24)16-5-4-15(25)9-13(16)2;1-2-9-37(35,36)31-21-19(25)8-7-16(20(21)26)22(34)18-12-28-24-17(18)10-15(11-27-24)13-3-5-14(6-4-13)23-29-32-33-30-23;1-2-8-34(32,33)30-22-20(25)7-6-17(21(22)26)23(31)19-13-29-24-18(19)10-16(12-28-24)15-5-3-4-14(9-15)11-27;1-3-10-33(31,32)29-22-20(25)9-8-17(21(22)26)23(30)19-13-28-24-18(19)11-15(12-27-24)16-7-5-4-6-14(16)2;1-2-9-33(31,32)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(24)6-4-13;1-2-9-35(31,32)29-21-19(24)8-7-16(20(21)25)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(6-4-13)36(26,33)34/h4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30,32,33);3-7,9-10,12-13,30H,2,8H2,1H3,(H,28,29);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H2,26,33,34)
InChIKeyLEJXQQBZIHMSKA-UHFFFAOYSA-N
MW3489.04 g/mol
LogP33.49
Rot. Bonds52

About N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide

N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 167611973) has the molecular formula C166H136ClF16N27O24S8 and a molecular weight of 3489.04 g/mol. Its IUPAC name is N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
PubChem CID167611973
Molecular FormulaC166H136ClF16N27O24S8
Molecular Weight3489.04 g/mol
Exact Mass3485.75
IUPAC NameN-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(-c5nn[nH]n5)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C)cc23)c1F
InChIInChI=1S/C24H20ClF2N3O4S.C24H20F3N3O3S.C24H19F2N7O3S.C24H18F2N4O3S.C24H21F2N3O3S.C23H18F3N3O3S.C23H20F2N4O5S2/c1-3-8-35(32,33)30-22-20(26)7-6-16(21(22)27)23(31)18-12-29-24-17(18)9-13(11-28-24)15-5-4-14(34-2)10-19(15)25;1-3-8-34(32,33)30-22-20(26)7-6-17(21(22)27)23(31)19-12-29-24-18(19)10-14(11-28-24)16-5-4-15(25)9-13(16)2;1-2-9-37(35,36)31-21-19(25)8-7-16(20(21)26)22(34)18-12-28-24-17(18)10-15(11-27-24)13-3-5-14(6-4-13)23-29-32-33-30-23;1-2-8-34(32,33)30-22-20(25)7-6-17(21(22)26)23(31)19-13-29-24-18(19)10-16(12-28-24)15-5-3-4-14(9-15)11-27;1-3-10-33(31,32)29-22-20(25)9-8-17(21(22)26)23(30)19-13-28-24-18(19)11-15(12-27-24)16-7-5-4-6-14(16)2;1-2-9-33(31,32)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(24)6-4-13;1-2-9-35(31,32)29-21-19(24)8-7-16(20(21)25)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(6-4-13)36(26,33)34/h4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30,32,33);3-7,9-10,12-13,30H,2,8H2,1H3,(H,28,29);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H2,26,33,34)
InChIKeyLEJXQQBZIHMSKA-UHFFFAOYSA-N
XLogP33.49
TPSA791.08 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds52
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003489.04
LogP ≤ 533.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide with MolForge

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Related Compounds

N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]butane-1-sulfonamide;N-[3-[5-(4-chloro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]butane-1-sulfonamide;N-[2,6-difluoro-3-[5-(6-fluoro-4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3,3,3-trifluoropropane-1-sulfonamide;N-[2,6-difluoro-3-[5-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 167567991
CID 159333371
CID 159333371
CID 160697505
CID 160697505
4-butoxy-N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]benzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methoxybenzenesulfonamide;N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methoxybenzenesulfonamide;bis(N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide)
CID 161979997
N-[3-[5-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(2-chloro-4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;2-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;3-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;N-[3-[5-[4-(2,3-dihydroxypropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide
CID 167532160

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide (CID 167611973) is N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(-c5nn[nH]n5)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4C)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4Cl)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4cccc(C#N)c4)cc23)c1F.CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccccc4C)cc23)c1F.
What is the InChIKey of N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
The InChIKey is LEJXQQBZIHMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O4S.C24H20F3N3O3S.C24H19F2N7O3S.C24H18F2N4O3S.C24H21F2N3O3S.C23H18F3N3O3S.C23H20F2N4O5S2/c1-3-8-35(32,33)30-22-20(26)7-6-16(21(22)27)23(31)18-12-29-24-17(18)9-13(11-28-24)15-5-4-14(34-2)10-19(15)25;1-3-8-34(32,33)30-22-20(26)7-6-17(21(22)27)23(31)19-12-29-24-18(19)10-14(11-28-24)16-5-4-15(25)9-13(16)2;1-2-9-37(35,36)31-21-19(25)8-7-16(20(21)26)22(34)18-12-28-24-17(18)10-15(11-27-24)13-3-5-14(6-4-13)23-29-32-33-30-23;1-2-8-34(32,33)30-22-20(25)7-6-17(21(22)26)23(31)19-13-29-24-18(19)10-16(12-28-24)15-5-3-4-14(9-15)11-27;1-3-10-33(31,32)29-22-20(25)9-8-17(21(22)26)23(30)19-13-28-24-18(19)11-15(12-27-24)16-7-5-4-6-14(16)2;1-2-9-33(31,32)29-21-19(25)8-7-16(20(21)26)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(24)6-4-13;1-2-9-35(31,32)29-21-19(24)8-7-16(20(21)25)22(30)18-12-28-23-17(18)10-14(11-27-23)13-3-5-15(6-4-13)36(26,33)34/h4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);4-7,9-12,30H,3,8H2,1-2H3,(H,28,29);3-8,10-12,31H,2,9H2,1H3,(H,27,28)(H,29,30,32,33);3-7,9-10,12-13,30H,2,8H2,1H3,(H,28,29);4-9,11-13,29H,3,10H2,1-2H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28);3-8,10-12,29H,2,9H2,1H3,(H,27,28)(H2,26,33,34).
What are the key properties of N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide?
N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 3489.04 g/mol, XLogP of 33.49, 52 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-chloro-4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[3-[5-(3-cyanophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,6-difluorophenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluoro-2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;N-[2,6-difluoro-3-[5-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide;4-[3-[2,4-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide;N-[2,6-difluoro-3-[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 167611973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).