2-(1-chloroethylsulfonyl)acetamide

C4H8ClNO3S — CID 88671106

IUPAC2-(1-chloroethylsulfonyl)acetamide
SMILESCC(Cl)S(=O)(=O)CC(N)=O
InChIInChI=1S/C4H8ClNO3S/c1-3(5)10(8,9)2-4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKeyKFPJVFALWIEEMK-UHFFFAOYSA-N
MW185.63 g/mol
LogP-0.53
Rot. Bonds3

About 2-(1-chloroethylsulfonyl)acetamide

2-(1-chloroethylsulfonyl)acetamide (PubChem CID 88671106) has the molecular formula C4H8ClNO3S and a molecular weight of 185.63 g/mol. Its IUPAC name is 2-(1-chloroethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(1-chloroethylsulfonyl)acetamide
PubChem CID88671106
Molecular FormulaC4H8ClNO3S
Molecular Weight185.63 g/mol
Exact Mass184.99
IUPAC Name2-(1-chloroethylsulfonyl)acetamide
SMILESCC(Cl)S(=O)(=O)CC(N)=O
InChIInChI=1S/C4H8ClNO3S/c1-3(5)10(8,9)2-4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKeyKFPJVFALWIEEMK-UHFFFAOYSA-N
XLogP-0.53
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-chloro-1-ethylsulfonylethane
CID 94036814
sodium 2-methylsulfonylacetamide
CID 20548266
1,1-dichloroethane;urea
CID 158856998
2-(trimethyl-λ4-sulfanyl)acetamide
CID 87267371
1-(1-chloroethylsulfonyl)propane
CID 23323737
1-chloro-1-(2-chloroethylsulfonyl)ethane
CID 118209400
1-[(1R)-1-chloroethyl]sulfonylbutane
CID 94036808
2,2-bis(ethylsulfonyl)acetamide
CID 57211118
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372
3-methylbutanamide
CID 87933309
2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098
3-methyl-2-methylsulfonylbutanamide
CID 123985675

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethylsulfonyl)acetamide?
The IUPAC name of 2-(1-chloroethylsulfonyl)acetamide (CID 88671106) is 2-(1-chloroethylsulfonyl)acetamide.
What is the SMILES notation for 2-(1-chloroethylsulfonyl)acetamide?
The canonical SMILES for 2-(1-chloroethylsulfonyl)acetamide is CC(Cl)S(=O)(=O)CC(N)=O.
What is the InChIKey of 2-(1-chloroethylsulfonyl)acetamide?
The InChIKey is KFPJVFALWIEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO3S/c1-3(5)10(8,9)2-4(6)7/h3H,2H2,1H3,(H2,6,7).
What are the key properties of 2-(1-chloroethylsulfonyl)acetamide?
2-(1-chloroethylsulfonyl)acetamide has a molecular weight of 185.63 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethylsulfonyl)acetamide is sourced from PubChem (CID 88671106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).