2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide

C15H16N2O3S — CID 10614468

IUPAC2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
SMILESCOc1ccccc1/C(N)=N/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-4-3-5-13(14)15(16)17-11-7-9-12(10-8-11)21(2,18)19/h3-10H,1-2H3,(H2,16,17)
InChIKeyVOODSFXEUBNIHR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.14
Rot. Bonds4

About 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide

2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide (PubChem CID 10614468) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
PubChem CID10614468
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide
SMILESCOc1ccccc1/C(N)=N/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-14-6-4-3-5-13(14)15(16)17-11-7-9-12(10-8-11)21(2,18)19/h3-10H,1-2H3,(H2,16,17)
InChIKeyVOODSFXEUBNIHR-UHFFFAOYSA-N
XLogP2.14
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 114962795
2-methoxy-N'-methylbenzenecarboximidamide
CID 63181922
methyl 2-methoxy-N-[4-[[methoxy-(2-methoxyphenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577770
2-amino-4,5-dimethoxy-N'-phenylbenzenecarboximidamide
CID 86278868
methyl 5-[[amino-(2-phenylmethoxyphenyl)methylidene]amino]-2-methoxybenzoate
CID 155167097
N'-[2,6-di(propan-2-yl)phenyl]-2-methoxybenzenecarboximidamide
CID 162491948
2-methoxybenzoate;hydrochloride
CID 18793456
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
N'-(4-methoxyphenyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 135071649
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197
bis(4-methylsulfonylphenyl)diazene
CID 14045605

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The IUPAC name of 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide (CID 10614468) is 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide is COc1ccccc1/C(N)=N/c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
The InChIKey is VOODSFXEUBNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-14-6-4-3-5-13(14)15(16)17-11-7-9-12(10-8-11)21(2,18)19/h3-10H,1-2H3,(H2,16,17).
What are the key properties of 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide?
2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide has a molecular weight of 304.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-methylsulfonylphenyl)benzenecarboximidamide is sourced from PubChem (CID 10614468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).