[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate

C15H11Cl2NO5S — CID 53240791

IUPAC[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate
SMILESCC(=O)ON(C(=O)c1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO5S/c1-10(19)23-18(15(20)11-6-3-2-4-7-11)24(21,22)14-12(16)8-5-9-13(14)17/h2-9H,1H3
InChIKeyOYENWGYMUNZJGF-UHFFFAOYSA-N
MW388.23 g/mol
LogP3.30
Rot. Bonds3

About [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate

[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate (PubChem CID 53240791) has the molecular formula C15H11Cl2NO5S and a molecular weight of 388.23 g/mol. Its IUPAC name is [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate.

Molecular Properties

Compound Name[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate
PubChem CID53240791
Molecular FormulaC15H11Cl2NO5S
Molecular Weight388.23 g/mol
Exact Mass386.97
IUPAC Name[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate
SMILESCC(=O)ON(C(=O)c1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO5S/c1-10(19)23-18(15(20)11-6-3-2-4-7-11)24(21,22)14-12(16)8-5-9-13(14)17/h2-9H,1H3
InChIKeyOYENWGYMUNZJGF-UHFFFAOYSA-N
XLogP3.30
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,6-dichlorophenyl)sulfonyl-methylamino]acetic acid
CID 43091528
(N-benzoyl-3-chloroanilino) acetate
CID 132609379
N-(2,6-dichlorophenyl)-N-phenylbenzamide
CID 14251439
2-[acetyloxy(benzoyl)amino]acetic acid
CID 87378197
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
2,6-dichloro-N,N-diphenylbenzenesulfonamide
CID 3332865
N-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)benzamide
CID 154952087
(4-acetylphenyl) 2,6-dichlorobenzenesulfonate
CID 26946032
2-benzoyl-3-chlorobenzenesulfonyl chloride
CID 154094187
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2,6-dichloro-N,N-diethylbenzenesulfonamide
CID 3331535
N-tert-butyl-2,6-dichloro-N-oxidobenzamide
CID 20515116

Frequently Asked Questions

What is the IUPAC name of [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate?
The IUPAC name of [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate (CID 53240791) is [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate.
What is the SMILES notation for [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate?
The canonical SMILES for [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate is CC(=O)ON(C(=O)c1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate?
The InChIKey is OYENWGYMUNZJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5S/c1-10(19)23-18(15(20)11-6-3-2-4-7-11)24(21,22)14-12(16)8-5-9-13(14)17/h2-9H,1H3.
What are the key properties of [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate?
[benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate has a molecular weight of 388.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyl-(2,6-dichlorophenyl)sulfonylamino] acetate is sourced from PubChem (CID 53240791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).