[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate

C11H12ClNO5S — CID 91691714

IUPAC[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/c1-7(18-8(2)14)11(15)13-19(16,17)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,15)
InChIKeyYJPRGEJXWHQENP-UHFFFAOYSA-N
MW305.74 g/mol
LogP1.10
Rot. Bonds4

About [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate

[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate (PubChem CID 91691714) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate
PubChem CID91691714
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO5S/c1-7(18-8(2)14)11(15)13-19(16,17)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,15)
InChIKeyYJPRGEJXWHQENP-UHFFFAOYSA-N
XLogP1.10
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-((4-Chlorophenyl)sulfonyl)-N-methylglycine 2-amino-2-oxoethyl ester
CID 2429069
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide
CID 3823677
Methyl 2-{[(4-chlorophenyl)sulfonyl]amino}acetate
CID 686925
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trifluoroacetyl-
CID 91704906
dimethyl 2-[(E)-N-(4-chlorophenyl)sulfonyl-C-methylcarbonimidoyl]oxypropanedioate
CID 9659391
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-methyl-
CID 47347573
N-(4-Chlorobenzenesulfonyl)-2-hydroxypropanamide, TBDMS derivative
CID 91696420
4-Chloro-N-(2-hydroxypropionyl)-benzenesulfonamide, O-trimethylsilyl-
CID 91709813
dimethyl [N-(p-chlorophenylsulfonyl)acetimid-oyloxy]malonate
CID 4364360
ethyl [N-(p-chlorophenylsulfonyl)acetimidoyl-oxy]acetate
CID 73006763
p-Chloro-benzenesulfonyloxamic acid
CID 129780781
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7414351

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate (CID 91691714) is [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate is CC(=O)OC(C)C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate?
The InChIKey is YJPRGEJXWHQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c1-7(18-8(2)14)11(15)13-19(16,17)10-5-3-9(12)4-6-10/h3-7H,1-2H3,(H,13,15).
What are the key properties of [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate?
[1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate has a molecular weight of 305.74 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)sulfonylamino]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 91691714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).