N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide

C14H20N2O3S — CID 3139318

IUPACN'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-14(17)12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H,15,17)
InChIKeyCFBCNHHQGMLBGF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.88
Rot. Bonds4

About N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide

N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide (PubChem CID 3139318) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide
PubChem CID3139318
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-14(17)12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H,15,17)
InChIKeyCFBCNHHQGMLBGF-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.88
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 N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide (CID 3139318) is N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide?
The InChIKey is CFBCNHHQGMLBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-15-14(17)12-5-3-2-4-6-12/h7-10,12,16H,2-6H2,1H3,(H,15,17).
What are the key properties of N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide?
N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide has a molecular weight of 296.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonylcyclohexanecarbohydrazide is sourced from PubChem (CID 3139318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).