N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

C49H36N10O5S2 — CID 10819582

IUPACN-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESN#Cc1c(-c2cccc(N)c2)cc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)c4cccc(S(=O)(=O)Nc5ccc(-c6cc(-c7cccc(N)c7)c(C#N)c(N)n6)cc5)c4)c3)cc2)nc1N
InChIInChI=1S/C49H36N10O5S2/c50-27-43-41(31-5-1-9-35(52)21-31)25-45(56-48(43)54)29-13-17-37(18-14-29)58-65(61,62)39-11-3-7-33(23-39)47(60)34-8-4-12-40(24-34)66(63,64)59-38-19-15-30(16-20-38)46-26-42(44(28-51)49(55)57-46)32-6-2-10-36(53)22-32/h1-26,58-59H,52-53H2,(H2,54,56)(H2,55,57)
InChIKeyOKGIDGPNGFLWGD-UHFFFAOYSA-N
MW909.03 g/mol
LogP8.05
Rot. Bonds12

About N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide

N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (PubChem CID 10819582) has the molecular formula C49H36N10O5S2 and a molecular weight of 909.03 g/mol. Its IUPAC name is N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
PubChem CID10819582
Molecular FormulaC49H36N10O5S2
Molecular Weight909.03 g/mol
Exact Mass908.23
IUPAC NameN-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
SMILESN#Cc1c(-c2cccc(N)c2)cc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)c4cccc(S(=O)(=O)Nc5ccc(-c6cc(-c7cccc(N)c7)c(C#N)c(N)n6)cc5)c4)c3)cc2)nc1N
InChIInChI=1S/C49H36N10O5S2/c50-27-43-41(31-5-1-9-35(52)21-31)25-45(56-48(43)54)29-13-17-37(18-14-29)58-65(61,62)39-11-3-7-33(23-39)47(60)34-8-4-12-40(24-34)66(63,64)59-38-19-15-30(16-20-38)46-26-42(44(28-51)49(55)57-46)32-6-2-10-36(53)22-32/h1-26,58-59H,52-53H2,(H2,54,56)(H2,55,57)
InChIKeyOKGIDGPNGFLWGD-UHFFFAOYSA-N
XLogP8.05
TPSA286.85 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500909.03
LogP ≤ 58.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 135456571
3-[6-amino-5-cyano-4-(4-methylsulfonylphenyl)-2-pyridinyl]benzoic acid
CID 56875045
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
N-[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-3-[3-[[4-[5-(3-aminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10795497
N-[4-[6-amino-5-cyano-4-(furan-2-yl)-2-pyridinyl]phenyl]-4-chlorobenzenesulfonamide
CID 11797833
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
CID 177295527
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The IUPAC name of N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide (CID 10819582) is N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The canonical SMILES for N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is N#Cc1c(-c2cccc(N)c2)cc(-c2ccc(NS(=O)(=O)c3cccc(C(=O)c4cccc(S(=O)(=O)Nc5ccc(-c6cc(-c7cccc(N)c7)c(C#N)c(N)n6)cc5)c4)c3)cc2)nc1N.
What is the InChIKey of N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
The InChIKey is OKGIDGPNGFLWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N10O5S2/c50-27-43-41(31-5-1-9-35(52)21-31)25-45(56-48(43)54)29-13-17-37(18-14-29)58-65(61,62)39-11-3-7-33(23-39)47(60)34-8-4-12-40(24-34)66(63,64)59-38-19-15-30(16-20-38)46-26-42(44(28-51)49(55)57-46)32-6-2-10-36(53)22-32/h1-26,58-59H,52-53H2,(H2,54,56)(H2,55,57).
What are the key properties of N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide?
N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide has a molecular weight of 909.03 g/mol, XLogP of 8.05, 12 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]-3-[3-[[4-[6-amino-4-(3-aminophenyl)-5-cyano-2-pyridinyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide is sourced from PubChem (CID 10819582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).