4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide

C26H24N4O4S2 — CID 102274853

IUPAC4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N4O4S2/c1-19-11-15-21(16-12-19)35(31,32)29-25-9-5-3-7-23(25)27-28-24-8-4-6-10-26(24)30-36(33,34)22-17-13-20(2)14-18-22/h3-18,29-30H,1-2H3/b28-27+
InChIKeyCFUSJNLMWCLQTR-BYYHNAKLSA-N
MW520.64 g/mol
LogP6.32
Rot. Bonds8

About 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide

4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide (PubChem CID 102274853) has the molecular formula C26H24N4O4S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
PubChem CID102274853
Molecular FormulaC26H24N4O4S2
Molecular Weight520.64 g/mol
Exact Mass520.12
IUPAC Name4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/N=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N4O4S2/c1-19-11-15-21(16-12-19)35(31,32)29-25-9-5-3-7-23(25)27-28-24-8-4-6-10-26(24)30-36(33,34)22-17-13-20(2)14-18-22/h3-18,29-30H,1-2H3/b28-27+
InChIKeyCFUSJNLMWCLQTR-BYYHNAKLSA-N
XLogP6.32
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.64
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-[(2-hydroxy-5-methylphenyl)methylideneamino]phenyl]-4-methylbenzenesulfonamide
CID 2840139
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
N-[2-[2-(2-azidophenyl)ethynyl]phenyl]-4-methylbenzenesulfonamide
CID 132505957
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
N-[2-(1H-indol-3-ylmethylideneamino)phenyl]-4-methylbenzenesulfonamide
CID 1379937
1-N-methyl-4-N-[2-(4-methylanilino)phenyl]benzene-1,4-disulfonamide
CID 39977625
4-methyl-N-[2-[[(Z)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]imino-2-nitroprop-1-enyl]amino]phenyl]benzenesulfonamide
CID 12073591
4-methyl-N-[2-[4-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methylideneamino]butyliminomethyl]phenyl]benzenesulfonamide
CID 101241244

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide (CID 102274853) is 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/N=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide?
The InChIKey is CFUSJNLMWCLQTR-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H24N4O4S2/c1-19-11-15-21(16-12-19)35(31,32)29-25-9-5-3-7-23(25)27-28-24-8-4-6-10-26(24)30-36(33,34)22-17-13-20(2)14-18-22/h3-18,29-30H,1-2H3/b28-27+.
What are the key properties of 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide has a molecular weight of 520.64 g/mol, XLogP of 6.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 102274853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).