N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

C16H18N2O3S — CID 6338948

IUPACN-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1ccc(O)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-15(8-5-11)22(20,21)18-13(3)17-14-6-9-16(19)12(2)10-14/h4-10,19H,1-3H3,(H,17,18)
InChIKeyWFDUDBIYVXZHCG-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.23
Rot. Bonds3

About N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide

N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (PubChem CID 6338948) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
PubChem CID6338948
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1ccc(O)c(C)c1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-15(8-5-11)22(20,21)18-13(3)17-14-6-9-16(19)12(2)10-14/h4-10,19H,1-3H3,(H,17,18)
InChIKeyWFDUDBIYVXZHCG-UHFFFAOYSA-N
XLogP3.23
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The IUPAC name of N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide (CID 6338948) is N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide.
What is the SMILES notation for N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The canonical SMILES for N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is C/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1ccc(O)c(C)c1.
What is the InChIKey of N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
The InChIKey is WFDUDBIYVXZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-7-15(8-5-11)22(20,21)18-13(3)17-14-6-9-16(19)12(2)10-14/h4-10,19H,1-3H3,(H,17,18).
What are the key properties of N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide?
N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide has a molecular weight of 318.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylphenyl)-N'-(4-methylphenyl)sulfonylethanimidamide is sourced from PubChem (CID 6338948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).