2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide

C10H13ClN2O3S — CID 43662654

IUPAC2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C10H13ClN2O3S/c11-6-5-8-1-3-9(4-2-8)17(15,16)13-7-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyREEMZCFJYSJYSL-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.23
Rot. Bonds6

About 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide

2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide (PubChem CID 43662654) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
PubChem CID43662654
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1
InChIInChI=1S/C10H13ClN2O3S/c11-6-5-8-1-3-9(4-2-8)17(15,16)13-7-10(12)14/h1-4,13H,5-7H2,(H2,12,14)
InChIKeyREEMZCFJYSJYSL-UHFFFAOYSA-N
XLogP0.23
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.23
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]-N-methylacetamide
CID 43662571
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
2-[(4-cyanophenyl)sulfonylamino]acetamide
CID 4844985
[4-(2-chloroethyl)phenyl]urea
CID 70156688
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
4-(2-chloroethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 62694206
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
2-[(6-chloronaphthalen-2-yl)sulfonylamino]acetamide
CID 70140824
2-[2-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115260140
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide (CID 43662654) is 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(CCCl)cc1.
What is the InChIKey of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is REEMZCFJYSJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-6-5-8-1-3-9(4-2-8)17(15,16)13-7-10(12)14/h1-4,13H,5-7H2,(H2,12,14).
What are the key properties of 2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide?
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 276.75 g/mol, XLogP of 0.23, 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]acetamide is sourced from PubChem (CID 43662654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).