2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine

C18H14F3N5O6S3 — CID 139507027

IUPAC2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine
SMILESCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N=S(=O)(F)F)cc1OS(=O)(=O)F
InChIInChI=1S/C18H14F3N5O6S3/c1-12-10-15(16(25-34(19,20)29)11-17(12)32-35(21,30)31)24-23-13-5-7-14(8-6-13)33(27,28)26-18-4-2-3-9-22-18/h2-11H,1H3,(H,22,26)/b24-23+
InChIKeyOXCWLDOSRCFWHP-WCWDXBQESA-N
MW549.53 g/mol
LogP5.07
Rot. Bonds8

About 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine

2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine (PubChem CID 139507027) has the molecular formula C18H14F3N5O6S3 and a molecular weight of 549.53 g/mol. Its IUPAC name is 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine.

Molecular Properties

Compound Name2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine
PubChem CID139507027
Molecular FormulaC18H14F3N5O6S3
Molecular Weight549.53 g/mol
Exact Mass549.01
IUPAC Name2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine
SMILESCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N=S(=O)(F)F)cc1OS(=O)(=O)F
InChIInChI=1S/C18H14F3N5O6S3/c1-12-10-15(16(25-34(19,20)29)11-17(12)32-35(21,30)31)24-23-13-5-7-14(8-6-13)33(27,28)26-18-4-2-3-9-22-18/h2-11H,1H3,(H,22,26)/b24-23+
InChIKeyOXCWLDOSRCFWHP-WCWDXBQESA-N
XLogP5.07
TPSA156.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine 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

4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]-2-sulfooxybenzoic acid
CID 170455182
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
[2-acetyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]phenyl] octanoate;ethane
CID 144798775
4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 102253854
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
4-[[2-(4-chlorobenzoyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 137042855
3-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 150121032
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine?
The IUPAC name of 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine (CID 139507027) is 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine.
What is the SMILES notation for 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine?
The canonical SMILES for 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine is Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N=S(=O)(F)F)cc1OS(=O)(=O)F.
What is the InChIKey of 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine?
The InChIKey is OXCWLDOSRCFWHP-WCWDXBQESA-N. The full InChI is InChI=1S/C18H14F3N5O6S3/c1-12-10-15(16(25-34(19,20)29)11-17(12)32-35(21,30)31)24-23-13-5-7-14(8-6-13)33(27,28)26-18-4-2-3-9-22-18/h2-11H,1H3,(H,22,26)/b24-23+.
What are the key properties of 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine?
2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine has a molecular weight of 549.53 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine is sourced from PubChem (CID 139507027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).