N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

C152H141BrClF18IN26O24S8 — CID 160690383

IUPACN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C)c(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(C)(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(I)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.O=C(Cc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)C2CC2)c1F
InChIInChI=1S/C22H25F2N3O3S.C21H19F2N5O3S.C19H18ClF2N3O3S.C18H15BrF3N3O3S.C18H16F3N3O3S.C18H16F2IN3O3S.C18H15F2N3O3S.C18H17F2N3O3S/c1-5-8-31(29,30)27-17-7-6-16(23)19(20(17)24)18(28)10-13-9-14-15(22(2,3)4)12-26-21(14)25-11-13;1-2-7-32(30,31)28-17-4-3-15(22)19(20(17)23)18(29)9-12-8-13-14(16-5-6-26-27-16)11-25-21(13)24-10-12;1-3-6-29(27,28)25-14-5-4-13(21)16(18(14)22)15(26)8-11-7-12-17(20)10(2)24-19(12)23-9-11;1-2-3-29(27,28)25-13-6-12(20)16(21)15(17(13)22)14(26)5-9-4-10-11(19)8-24-18(10)23-7-9;1-2-5-28(26,27)24-13-8-12(19)16(20)15(17(13)21)14(25)7-10-6-11-3-4-22-18(11)23-9-10;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)20)15(25)7-10-6-11-13(21)9-23-18(11)22-8-10;19-13-3-4-14(23-27(25,26)12-1-2-12)17(20)16(13)15(24)8-10-7-11-5-6-21-18(11)22-9-10;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11/h6-7,9,11-12,27H,5,8,10H2,1-4H3,(H,25,26);3-6,8,10-11,28H,2,7,9H2,1H3,(H,24,25)(H,26,27);4-5,7,9,25H,3,6,8H2,1-2H3,(H,23,24);4,6-8,25H,2-3,5H2,1H3,(H,23,24);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-7,9,12,23H,1-2,8H2,(H,21,22);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22)
InChIKeyRPICYXLQVGOWAY-UHFFFAOYSA-N
MW3556.72 g/mol
LogP31.39
Rot. Bonds56

About N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide

N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (PubChem CID 160690383) has the molecular formula C152H141BrClF18IN26O24S8 and a molecular weight of 3556.72 g/mol. Its IUPAC name is N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
PubChem CID160690383
Molecular FormulaC152H141BrClF18IN26O24S8
Molecular Weight3556.72 g/mol
Exact Mass3552.60
IUPAC NameN-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C)c(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(C)(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(I)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.O=C(Cc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)C2CC2)c1F
InChIInChI=1S/C22H25F2N3O3S.C21H19F2N5O3S.C19H18ClF2N3O3S.C18H15BrF3N3O3S.C18H16F3N3O3S.C18H16F2IN3O3S.C18H15F2N3O3S.C18H17F2N3O3S/c1-5-8-31(29,30)27-17-7-6-16(23)19(20(17)24)18(28)10-13-9-14-15(22(2,3)4)12-26-21(14)25-11-13;1-2-7-32(30,31)28-17-4-3-15(22)19(20(17)23)18(29)9-12-8-13-14(16-5-6-26-27-16)11-25-21(13)24-10-12;1-3-6-29(27,28)25-14-5-4-13(21)16(18(14)22)15(26)8-11-7-12-17(20)10(2)24-19(12)23-9-11;1-2-3-29(27,28)25-13-6-12(20)16(21)15(17(13)22)14(26)5-9-4-10-11(19)8-24-18(10)23-7-9;1-2-5-28(26,27)24-13-8-12(19)16(20)15(17(13)21)14(25)7-10-6-11-3-4-22-18(11)23-9-10;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)20)15(25)7-10-6-11-13(21)9-23-18(11)22-8-10;19-13-3-4-14(23-27(25,26)12-1-2-12)17(20)16(13)15(24)8-10-7-11-5-6-21-18(11)22-9-10;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11/h6-7,9,11-12,27H,5,8,10H2,1-4H3,(H,25,26);3-6,8,10-11,28H,2,7,9H2,1H3,(H,24,25)(H,26,27);4-5,7,9,25H,3,6,8H2,1-2H3,(H,23,24);4,6-8,25H,2-3,5H2,1H3,(H,23,24);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-7,9,12,23H,1-2,8H2,(H,21,22);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22)
InChIKeyRPICYXLQVGOWAY-UHFFFAOYSA-N
XLogP31.39
TPSA764.04 Ų
H-Bond Donors17
H-Bond Acceptors33
Rotatable Bonds56
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003556.72
LogP ≤ 531.39
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide (CID 160690383) is N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]cc(Br)c3c2)c1F.CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]c(C)c(Cl)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(-c4ccn[nH]4)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(C(C)(C)C)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]cc(I)c3c2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cc2cnc3[nH]ccc3c2)c1F.O=C(Cc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)C2CC2)c1F.
What is the InChIKey of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
The InChIKey is RPICYXLQVGOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3S.C21H19F2N5O3S.C19H18ClF2N3O3S.C18H15BrF3N3O3S.C18H16F3N3O3S.C18H16F2IN3O3S.C18H15F2N3O3S.C18H17F2N3O3S/c1-5-8-31(29,30)27-17-7-6-16(23)19(20(17)24)18(28)10-13-9-14-15(22(2,3)4)12-26-21(14)25-11-13;1-2-7-32(30,31)28-17-4-3-15(22)19(20(17)23)18(29)9-12-8-13-14(16-5-6-26-27-16)11-25-21(13)24-10-12;1-3-6-29(27,28)25-14-5-4-13(21)16(18(14)22)15(26)8-11-7-12-17(20)10(2)24-19(12)23-9-11;1-2-3-29(27,28)25-13-6-12(20)16(21)15(17(13)22)14(26)5-9-4-10-11(19)8-24-18(10)23-7-9;1-2-5-28(26,27)24-13-8-12(19)16(20)15(17(13)21)14(25)7-10-6-11-3-4-22-18(11)23-9-10;1-2-5-28(26,27)24-14-4-3-12(19)16(17(14)20)15(25)7-10-6-11-13(21)9-23-18(11)22-8-10;19-13-3-4-14(23-27(25,26)12-1-2-12)17(20)16(13)15(24)8-10-7-11-5-6-21-18(11)22-9-10;1-2-7-27(25,26)23-14-4-3-13(19)16(17(14)20)15(24)9-11-8-12-5-6-21-18(12)22-10-11/h6-7,9,11-12,27H,5,8,10H2,1-4H3,(H,25,26);3-6,8,10-11,28H,2,7,9H2,1H3,(H,24,25)(H,26,27);4-5,7,9,25H,3,6,8H2,1-2H3,(H,23,24);4,6-8,25H,2-3,5H2,1H3,(H,23,24);2*3-4,6,8-9,24H,2,5,7H2,1H3,(H,22,23);3-7,9,12,23H,1-2,8H2,(H,21,22);3-6,8,10,23H,2,7,9H2,1H3,(H,21,22).
What are the key properties of N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide?
N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide has a molecular weight of 3556.72 g/mol, XLogP of 31.39, 56 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-tert-butyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[2-(3-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[3-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]cyclopropanesulfonamide;N-[2,4-difluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide;N-[2,4,5-trifluoro-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 160690383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).