2,4-dimethyl-N'-phenylbenzenesulfonohydrazide

C14H16N2O2S — CID 3118791

IUPAC2,4-dimethyl-N'-phenylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ccccc2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-11-8-9-14(12(2)10-11)19(17,18)16-15-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3
InChIKeyAWAQMTOKNOYZML-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.61
Rot. Bonds4

About 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide

2,4-dimethyl-N'-phenylbenzenesulfonohydrazide (PubChem CID 3118791) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-phenylbenzenesulfonohydrazide
PubChem CID3118791
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2,4-dimethyl-N'-phenylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNc2ccccc2)c(C)c1
InChIInChI=1S/C14H16N2O2S/c1-11-8-9-14(12(2)10-11)19(17,18)16-15-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3
InChIKeyAWAQMTOKNOYZML-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide?
The IUPAC name of 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide (CID 3118791) is 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide?
The InChIKey is AWAQMTOKNOYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-8-9-14(12(2)10-11)19(17,18)16-15-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3.
What are the key properties of 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide?
2,4-dimethyl-N'-phenylbenzenesulfonohydrazide has a molecular weight of 276.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-phenylbenzenesulfonohydrazide is sourced from PubChem (CID 3118791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).