N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide

C12H17ClN2O3S — CID 2821139

IUPACN'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide
SMILESCC(C)S(=O)(=O)CC(N)=NOCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)19(16,17)8-12(14)15-18-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyOIHRYOZANCHSNO-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.95
Rot. Bonds6

About N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide

N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide (PubChem CID 2821139) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide
PubChem CID2821139
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide
SMILESCC(C)S(=O)(=O)CC(N)=NOCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)19(16,17)8-12(14)15-18-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyOIHRYOZANCHSNO-UHFFFAOYSA-N
XLogP1.95
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.95
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide?
The IUPAC name of N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide (CID 2821139) is N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide?
The canonical SMILES for N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide is CC(C)S(=O)(=O)CC(N)=NOCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide?
The InChIKey is OIHRYOZANCHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(2)19(16,17)8-12(14)15-18-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide?
N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide has a molecular weight of 304.80 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methoxy]-2-propan-2-ylsulfonylethanimidamide is sourced from PubChem (CID 2821139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).