2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide

C11H14ClFN2O3S — CID 146075739

IUPAC2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
SMILESO=C(CCl)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H14ClFN2O3S/c12-7-11(16)14-5-6-19(17,18)15-8-9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16)
InChIKeyWEMCETVLHJIULK-UHFFFAOYSA-N
MW308.76 g/mol
LogP0.60
Rot. Bonds7

About 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide

2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide (PubChem CID 146075739) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
PubChem CID146075739
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
SMILESO=C(CCl)NCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H14ClFN2O3S/c12-7-11(16)14-5-6-19(17,18)15-8-9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16)
InChIKeyWEMCETVLHJIULK-UHFFFAOYSA-N
XLogP0.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94488951
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54973798
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
3-(2-chloro-6-fluorophenyl)-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60516165
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
N-[(4-fluorophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 51108789
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111782852
methyl 4-[[2-(4-fluorophenyl)sulfonylethylsulfonylamino]methyl]benzoate
CID 71866481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide (CID 146075739) is 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide is O=C(CCl)NCCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide?
The InChIKey is WEMCETVLHJIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c12-7-11(16)14-5-6-19(17,18)15-8-9-1-3-10(13)4-2-9/h1-4,15H,5-8H2,(H,14,16).
What are the key properties of 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide?
2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide has a molecular weight of 308.76 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide is sourced from PubChem (CID 146075739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).