N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide

C13H17ClN2O4S — CID 81214143

IUPACN-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCOC(CCl)C2)cc1
InChIInChI=1S/C13H17ClN2O4S/c1-10(17)15-11-2-4-13(5-3-11)21(18,19)16-6-7-20-12(8-14)9-16/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyZORVFLFFRVOTGZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.27
Rot. Bonds4

About N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide

N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide (PubChem CID 81214143) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
PubChem CID81214143
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCOC(CCl)C2)cc1
InChIInChI=1S/C13H17ClN2O4S/c1-10(17)15-11-2-4-13(5-3-11)21(18,19)16-6-7-20-12(8-14)9-16/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyZORVFLFFRVOTGZ-UHFFFAOYSA-N
XLogP1.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
4-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-N-methylbenzamide
CID 81209377
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)sulfonylmorpholine
CID 81212095
N-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352403
N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide (CID 81214143) is N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCOC(CCl)C2)cc1.
What is the InChIKey of N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide?
The InChIKey is ZORVFLFFRVOTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-10(17)15-11-2-4-13(5-3-11)21(18,19)16-6-7-20-12(8-14)9-16/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide?
N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide has a molecular weight of 332.81 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(chloromethyl)morpholin-4-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 81214143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).