4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide

C28H26N4O4S2 — CID 175668189

IUPAC4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccccc2C=NN=Cc2ccccc2-c2cc(C)ccc2S(N)(=O)=O)c1
InChIInChI=1S/C28H26N4O4S2/c1-19-11-13-27(37(29,33)34)25(15-19)23-9-5-3-7-21(23)17-31-32-18-22-8-4-6-10-24(22)26-16-20(2)12-14-28(26)38(30,35)36/h3-18H,1-2H3,(H2,29,33,34)(H2,30,35,36)
InChIKeyBVJNGZXDABKVKJ-UHFFFAOYSA-N
MW546.67 g/mol
LogP4.39
Rot. Bonds7

About 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide

4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide (PubChem CID 175668189) has the molecular formula C28H26N4O4S2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide
PubChem CID175668189
Molecular FormulaC28H26N4O4S2
Molecular Weight546.67 g/mol
Exact Mass546.14
IUPAC Name4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccccc2C=NN=Cc2ccccc2-c2cc(C)ccc2S(N)(=O)=O)c1
InChIInChI=1S/C28H26N4O4S2/c1-19-11-13-27(37(29,33)34)25(15-19)23-9-5-3-7-21(23)17-31-32-18-22-8-4-6-10-24(22)26-16-20(2)12-14-28(26)38(30,35)36/h3-18H,1-2H3,(H2,29,33,34)(H2,30,35,36)
InChIKeyBVJNGZXDABKVKJ-UHFFFAOYSA-N
XLogP4.39
TPSA145.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide (CID 175668189) is 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(-c2ccccc2C=NN=Cc2ccccc2-c2cc(C)ccc2S(N)(=O)=O)c1.
What is the InChIKey of 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide?
The InChIKey is BVJNGZXDABKVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4S2/c1-19-11-13-27(37(29,33)34)25(15-19)23-9-5-3-7-21(23)17-31-32-18-22-8-4-6-10-24(22)26-16-20(2)12-14-28(26)38(30,35)36/h3-18H,1-2H3,(H2,29,33,34)(H2,30,35,36).
What are the key properties of 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide?
4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide has a molecular weight of 546.67 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[[[2-(5-methyl-2-sulfamoylphenyl)phenyl]methylidenehydrazinylidene]methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 175668189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).