2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

C16H20N2O4S2 — CID 14948232

IUPAC2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-11-5-7-15(8-6-11)23(19,20)17-18-24(21,22)16-13(3)9-12(2)10-14(16)4/h5-10,17-18H,1-4H3
InChIKeyPFQFNKOXTIAPBU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.09
Rot. Bonds5

About 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide

2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (PubChem CID 14948232) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
PubChem CID14948232
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H20N2O4S2/c1-11-5-7-15(8-6-11)23(19,20)17-18-24(21,22)16-13(3)9-12(2)10-14(16)4/h5-10,17-18H,1-4H3
InChIKeyPFQFNKOXTIAPBU-UHFFFAOYSA-N
XLogP2.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.09
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-dimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500666
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-[methyl-oxo-(2,4,6-trimethylphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 11163963
4-methyl-N'-(2-methylphenyl)benzenesulfonohydrazide
CID 102581241
4-methylbenzenesulfonohydrazide
CID 15303
3,4-diethoxy-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 9055901
4-tert-butyl-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 923515
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
CID 102155530

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The IUPAC name of 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide (CID 14948232) is 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide.
What is the SMILES notation for 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The canonical SMILES for 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
The InChIKey is PFQFNKOXTIAPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-11-5-7-15(8-6-11)23(19,20)17-18-24(21,22)16-13(3)9-12(2)10-14(16)4/h5-10,17-18H,1-4H3.
What are the key properties of 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide?
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide has a molecular weight of 368.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide is sourced from PubChem (CID 14948232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).