N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide

C11H14Cl2N2O3S — CID 75083635

IUPACN-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
SMILESCON=C(CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-18-15-11(5-6-14-19(2,16)17)8-3-4-9(12)10(13)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeyGGOHGLKHOGTIFV-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.28
Rot. Bonds6

About N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide

N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide (PubChem CID 75083635) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
PubChem CID75083635
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC NameN-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
SMILESCON=C(CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-18-15-11(5-6-14-19(2,16)17)8-3-4-9(12)10(13)7-8/h3-4,7,14H,5-6H2,1-2H3
InChIKeyGGOHGLKHOGTIFV-UHFFFAOYSA-N
XLogP2.28
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
CID 58436871
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
1-(3,4-dichlorophenyl)-N-methoxy-3-(2H-tetrazol-5-yl)propan-1-imine
CID 75083513
(5E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethyl-3-pyridinyl)-5-methoxyiminopentan-2-one
CID 58436802
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(2-methylpyrimidin-5-yl)pentan-2-one
CID 58436870
(4Z)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-pyrrolidin-3-ylbutanamide
CID 45101407
4-(3,4-dichlorophenyl)-N-(3,5-dimethylpyrazin-2-yl)-4-methoxyiminobutanamide
CID 75083596
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-1-(6-methyl-3-pyridinyl)pentan-2-one
CID 58436814
(E)-1-(3,4-dichlorophenyl)-N-methoxyethanimine
CID 52540048

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide (CID 75083635) is N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide is CON=C(CCNS(C)(=O)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide?
The InChIKey is GGOHGLKHOGTIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-18-15-11(5-6-14-19(2,16)17)8-3-4-9(12)10(13)7-8/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide?
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide has a molecular weight of 325.22 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide is sourced from PubChem (CID 75083635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).