2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide

C54H36Cl3N13O6S3 — CID 156782675

IUPAC2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
SMILESO=S(=O)(NN(NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl
InChIInChI=1S/C54H36Cl3N13O6S3/c55-49-43(22-37(25-61-49)34-19-31-13-16-58-52(31)64-28-34)40-7-1-4-10-46(40)77(71,72)67-70(68-78(73,74)47-11-5-2-8-41(47)44-23-38(26-62-50(44)56)35-20-32-14-17-59-53(32)65-29-35)69-79(75,76)48-12-6-3-9-42(48)45-24-39(27-63-51(45)57)36-21-33-15-18-60-54(33)66-30-36/h1-30,67-69H,(H,58,64)(H,59,65)(H,60,66)
InChIKeyRCXXAFQINPPILI-UHFFFAOYSA-N
MW1165.53 g/mol
LogP10.74
Rot. Bonds15

About 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide

2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide (PubChem CID 156782675) has the molecular formula C54H36Cl3N13O6S3 and a molecular weight of 1165.53 g/mol. Its IUPAC name is 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide.

Molecular Properties

Compound Name2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
PubChem CID156782675
Molecular FormulaC54H36Cl3N13O6S3
Molecular Weight1165.53 g/mol
Exact Mass1163.11
IUPAC Name2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
SMILESO=S(=O)(NN(NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl
InChIInChI=1S/C54H36Cl3N13O6S3/c55-49-43(22-37(25-61-49)34-19-31-13-16-58-52(31)64-28-34)40-7-1-4-10-46(40)77(71,72)67-70(68-78(73,74)47-11-5-2-8-41(47)44-23-38(26-62-50(44)56)35-20-32-14-17-59-53(32)65-29-35)69-79(75,76)48-12-6-3-9-42(48)45-24-39(27-63-51(45)57)36-21-33-15-18-60-54(33)66-30-36/h1-30,67-69H,(H,58,64)(H,59,65)(H,60,66)
InChIKeyRCXXAFQINPPILI-UHFFFAOYSA-N
XLogP10.74
TPSA266.46 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001165.53
LogP ≤ 510.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide with MolForge

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Related Compounds

N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
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CID 87191298
4-chloro-1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;4-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 157324799
2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-piperidin-3-ylpyrimidin-4-amine;2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidin-4-amine;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrimidin-4-amine
CID 161816969
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]pyridine-3-sulfonamide
CID 50938936
N-[3-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]pyridine-3-sulfonamide
CID 50940215
[5-(1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-pyridin-2-yl]-(4-chloro-pyridin-3-ylmethyl)-amine
CID 69076090
N-(3-{[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-yl]amino}-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 87191272
3-[3-[2-chloro-6-[[4-(cyclopropylsulfonylamino)cyclohexyl]amino]-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 87191395
3-[3-[2-chloro-6-(cyclohexylamino)-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 87191496
N-[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]benzenesulfonamide
CID 87191524
N-[2-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 87191566

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?
The IUPAC name of 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide (CID 156782675) is 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide.
What is the SMILES notation for 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?
The canonical SMILES for 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide is O=S(=O)(NN(NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)NS(=O)(=O)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)c1ccccc1-c1cc(-c2cnc3[nH]ccc3c2)cnc1Cl.
What is the InChIKey of 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?
The InChIKey is RCXXAFQINPPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36Cl3N13O6S3/c55-49-43(22-37(25-61-49)34-19-31-13-16-58-52(31)64-28-34)40-7-1-4-10-46(40)77(71,72)67-70(68-78(73,74)47-11-5-2-8-41(47)44-23-38(26-62-50(44)56)35-20-32-14-17-59-53(32)65-29-35)69-79(75,76)48-12-6-3-9-42(48)45-24-39(27-63-51(45)57)36-21-33-15-18-60-54(33)66-30-36/h1-30,67-69H,(H,58,64)(H,59,65)(H,60,66).
What are the key properties of 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide?
2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide has a molecular weight of 1165.53 g/mol, XLogP of 10.74, 15 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide is sourced from PubChem (CID 156782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).