2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide

C11H15ClN2O3S — CID 43662571

IUPAC2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-13-11(15)8-14-18(16,17)10-4-2-9(3-5-10)6-7-12/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyZZOPPTYGEIJGPM-UHFFFAOYSA-N
MW290.77 g/mol
LogP0.49
Rot. Bonds6

About 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide

2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide (PubChem CID 43662571) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
PubChem CID43662571
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-13-11(15)8-14-18(16,17)10-4-2-9(3-5-10)6-7-12/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKeyZZOPPTYGEIJGPM-UHFFFAOYSA-N
XLogP0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 50.49
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-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
CID 43662654
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
CID 9302289
4-(2-chloroethyl)-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737625
4-(2-chloroethyl)-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858988
4-(2-chloroethyl)-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755137
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide (CID 43662571) is 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide?
The InChIKey is ZZOPPTYGEIJGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-13-11(15)8-14-18(16,17)10-4-2-9(3-5-10)6-7-12/h2-5,14H,6-8H2,1H3,(H,13,15).
What are the key properties of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide?
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide has a molecular weight of 290.77 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 43662571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).