imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium

C26H25N6O2S+ — CID 123878774

IUPACimino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
SMILESCc1cc(NC(=[N+]=N)NCc2ccc(NS(=O)(=O)c3ccccc3-c3ccccc3)cc2)ccn1
InChIInChI=1S/C26H24N6O2S/c1-19-17-23(15-16-28-19)30-26(31-27)29-18-20-11-13-22(14-12-20)32-35(33,34)25-10-6-5-9-24(25)21-7-3-2-4-8-21/h2-17,27,32H,18H2,1H3,(H,28,29,30)/p+1
InChIKeyUNQGHVZIJMZFSC-UHFFFAOYSA-O
MW485.59 g/mol
LogP4.65
Rot. Bonds7

About imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium

imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium (PubChem CID 123878774) has the molecular formula C26H25N6O2S+ and a molecular weight of 485.59 g/mol. Its IUPAC name is imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium.

Molecular Properties

Compound Nameimino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
PubChem CID123878774
Molecular FormulaC26H25N6O2S+
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC Nameimino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium
SMILESCc1cc(NC(=[N+]=N)NCc2ccc(NS(=O)(=O)c3ccccc3-c3ccccc3)cc2)ccn1
InChIInChI=1S/C26H24N6O2S/c1-19-17-23(15-16-28-19)30-26(31-27)29-18-20-11-13-22(14-12-20)32-35(33,34)25-10-6-5-9-24(25)21-7-3-2-4-8-21/h2-17,27,32H,18H2,1H3,(H,28,29,30)/p+1
InChIKeyUNQGHVZIJMZFSC-UHFFFAOYSA-O
XLogP4.65
TPSA121.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium with MolForge

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Related Compounds

1-(2-chloro-4-pyridinyl)-3-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]urea
CID 88907437
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-phenylbenzenesulfonamide
CID 86902692
1-[[4-(dimethylamino)phenyl]methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71139051
N-[4-[3-(2-chloro-4-pyridinyl)-2-oxopropyl]phenyl]-2-phenylbenzenesulfonamide
CID 160887319
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307
1-amino-3-(3-methyl-4-pyridinyl)-2-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]guanidine
CID 123385633
tert-butyl N-[[3-[[[4-[(2-phenylphenyl)sulfonylamino]phenyl]carbamoylamino]methyl]phenyl]methyl]carbamate
CID 149433895
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925

Frequently Asked Questions

What is the IUPAC name of imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium?
The IUPAC name of imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium (CID 123878774) is imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium.
What is the SMILES notation for imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium?
The canonical SMILES for imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium is Cc1cc(NC(=[N+]=N)NCc2ccc(NS(=O)(=O)c3ccccc3-c3ccccc3)cc2)ccn1.
What is the InChIKey of imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium?
The InChIKey is UNQGHVZIJMZFSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H24N6O2S/c1-19-17-23(15-16-28-19)30-26(31-27)29-18-20-11-13-22(14-12-20)32-35(33,34)25-10-6-5-9-24(25)21-7-3-2-4-8-21/h2-17,27,32H,18H2,1H3,(H,28,29,30)/p+1.
What are the key properties of imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium?
imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium has a molecular weight of 485.59 g/mol, XLogP of 4.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[[(2-methyl-4-pyridinyl)amino]-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methylamino]methylidene]azanium is sourced from PubChem (CID 123878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).