2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide

C14H13ClN2O3S — CID 62495683

IUPAC2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyAPPMFOVOASQNQB-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide

2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide (PubChem CID 62495683) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
PubChem CID62495683
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyAPPMFOVOASQNQB-UHFFFAOYSA-N
XLogP2.82
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
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-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
CID 43807134
1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012
3-bromo-4-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 82787062
2-(2-bromo-6-nitrophenoxy)-6-chlorobenzenecarboximidamide
CID 81495765
2-chloro-6-(2,5-dichlorophenoxy)benzenecarboximidamide
CID 55079607
1-chloro-3-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 104835375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide (CID 62495683) is 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide?
The InChIKey is APPMFOVOASQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(18,19)10-7-5-9(6-8-10)20-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide?
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide has a molecular weight of 324.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 62495683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).