2-(2-chloroethylsulfonylamino)-N-methylacetamide

C5H11ClN2O3S — CID 107650514

IUPAC2-(2-chloroethylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)CCCl
InChIInChI=1S/C5H11ClN2O3S/c1-7-5(9)4-8-12(10,11)3-2-6/h8H,2-4H2,1H3,(H,7,9)
InChIKeyFKVSZUGWZGMHCI-UHFFFAOYSA-N
MW214.67 g/mol
LogP-1.11
Rot. Bonds5

About 2-(2-chloroethylsulfonylamino)-N-methylacetamide

2-(2-chloroethylsulfonylamino)-N-methylacetamide (PubChem CID 107650514) has the molecular formula C5H11ClN2O3S and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-(2-chloroethylsulfonylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloroethylsulfonylamino)-N-methylacetamide
PubChem CID107650514
Molecular FormulaC5H11ClN2O3S
Molecular Weight214.67 g/mol
Exact Mass214.02
IUPAC Name2-(2-chloroethylsulfonylamino)-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)CCCl
InChIInChI=1S/C5H11ClN2O3S/c1-7-5(9)4-8-12(10,11)3-2-6/h8H,2-4H2,1H3,(H,7,9)
InChIKeyFKVSZUGWZGMHCI-UHFFFAOYSA-N
XLogP-1.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 5-1.11
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

3-(2-chloroethylsulfonylamino)-N-methylpropanamide
CID 107651828
2-(ethylsulfonylamino)-N-methylacetamide
CID 61362851
3-(4-chlorobutylsulfonylamino)-N-methylpropanamide
CID 116816081
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 43662571
2-[[4-(aminomethyl)phenyl]methylsulfonylamino]-N-methylacetamide
CID 43310560
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
3-chloro-N-(2-methylprop-2-enyl)propane-1-sulfonamide
CID 114619084
2-(2-chloroethylsulfonylamino)ethylurea
CID 107652346
3-(chloromethylsulfonyl)-N-methylpropanamide
CID 131227677
N-methyl-2-(methylamino)acetamide
CID 2463138
N-tert-butyl-2-(2-hydroxyethylsulfonylamino)acetamide
CID 115356606
N-methyl-2-methylsulfonylacetamide
CID 58808409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfonylamino)-N-methylacetamide?
The IUPAC name of 2-(2-chloroethylsulfonylamino)-N-methylacetamide (CID 107650514) is 2-(2-chloroethylsulfonylamino)-N-methylacetamide.
What is the SMILES notation for 2-(2-chloroethylsulfonylamino)-N-methylacetamide?
The canonical SMILES for 2-(2-chloroethylsulfonylamino)-N-methylacetamide is CNC(=O)CNS(=O)(=O)CCCl.
What is the InChIKey of 2-(2-chloroethylsulfonylamino)-N-methylacetamide?
The InChIKey is FKVSZUGWZGMHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2O3S/c1-7-5(9)4-8-12(10,11)3-2-6/h8H,2-4H2,1H3,(H,7,9).
What are the key properties of 2-(2-chloroethylsulfonylamino)-N-methylacetamide?
2-(2-chloroethylsulfonylamino)-N-methylacetamide has a molecular weight of 214.67 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfonylamino)-N-methylacetamide is sourced from PubChem (CID 107650514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).