N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide

C23H24N2O3S — CID 134879097

IUPACN'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
SMILESCc1c(C)c(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C23H24N2O3S/c1-15-17(3)22(26)18(4)16(2)21(15)24-23(19-11-7-5-8-12-19)25-29(27,28)20-13-9-6-10-14-20/h5-14,26H,1-4H3,(H,24,25)
InChIKeySFBXMAUIPOBINA-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.87
Rot. Bonds4

About N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide (PubChem CID 134879097) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
PubChem CID134879097
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
SMILESCc1c(C)c(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C23H24N2O3S/c1-15-17(3)22(26)18(4)16(2)21(15)24-23(19-11-7-5-8-12-19)25-29(27,28)20-13-9-6-10-14-20/h5-14,26H,1-4H3,(H,24,25)
InChIKeySFBXMAUIPOBINA-UHFFFAOYSA-N
XLogP4.87
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.87
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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Related Compounds

N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
N'-(benzenesulfonyl)-N-(4-iodophenyl)benzenecarboximidamide
CID 4704503
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
4-methyl-N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)benzenecarboximidamide
CID 134878749
2-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 66787006
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)benzenecarboximidamide
CID 6856060
N'-(benzenesulfonyl)-N-(2-methylquinolin-4-yl)benzenecarboximidamide
CID 4564027
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide (CID 134879097) is N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide is Cc1c(C)c(N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)c(C)c(C)c1O.
What is the InChIKey of N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide?
The InChIKey is SFBXMAUIPOBINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15-17(3)22(26)18(4)16(2)21(15)24-23(19-11-7-5-8-12-19)25-29(27,28)20-13-9-6-10-14-20/h5-14,26H,1-4H3,(H,24,25).
What are the key properties of N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide has a molecular weight of 408.52 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 134879097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).