N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide

C16H22N2O3S — CID 57407755

IUPACN'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC1C=C(C)CCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-7-9-16(10-8-12)22(20,21)18(14(3)19)17-15-6-4-5-13(2)11-15/h7-11,15,17H,4-6H2,1-3H3
InChIKeyAABCJZURMIWQTE-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.54
Rot. Bonds4

About N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide

N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 57407755) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID57407755
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(NC1C=C(C)CCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H22N2O3S/c1-12-7-9-16(10-8-12)22(20,21)18(14(3)19)17-15-6-4-5-13(2)11-15/h7-11,15,17H,4-6H2,1-3H3
InChIKeyAABCJZURMIWQTE-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide (CID 57407755) is N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide is CC(=O)N(NC1C=C(C)CCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is AABCJZURMIWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-7-9-16(10-8-12)22(20,21)18(14(3)19)17-15-6-4-5-13(2)11-15/h7-11,15,17H,4-6H2,1-3H3.
What are the key properties of N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide?
N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 322.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 57407755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).