2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

C15H18N2O4S2 — CID 8500666

IUPAC2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-4-7-14(8-5-11)22(18,19)16-17-23(20,21)15-9-6-12(2)10-13(15)3/h4-10,16-17H,1-3H3
InChIKeyPVLIEXFXFHWZTJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.78
Rot. Bonds5

About 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (PubChem CID 8500666) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
PubChem CID8500666
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-4-7-14(8-5-11)22(18,19)16-17-23(20,21)15-9-6-12(2)10-13(15)3/h4-10,16-17H,1-3H3
InChIKeyPVLIEXFXFHWZTJ-UHFFFAOYSA-N
XLogP1.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
N-[4-[[(2,5-dimethylphenyl)sulfonylamino]sulfamoyl]phenyl]acetamide
CID 8523585
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
2,4-dimethyl-N-(2-methyl-5-methylsulfonylphenyl)benzenesulfonamide
CID 26267558
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The IUPAC name of 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (CID 8500666) is 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The InChIKey is PVLIEXFXFHWZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-11-4-7-14(8-5-11)22(18,19)16-17-23(20,21)15-9-6-12(2)10-13(15)3/h4-10,16-17H,1-3H3.
What are the key properties of 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide has a molecular weight of 354.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 8500666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).