(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate

C15H13Cl2NO4S — CID 20851144

IUPAC(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
SMILESCS(=O)(=O)c1cc(Cl)ccc1NCC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c1-23(20,21)14-8-11(17)4-7-13(14)18-9-15(19)22-12-5-2-10(16)3-6-12/h2-8,18H,9H2,1H3
InChIKeyPFRAJODTMIAGPM-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.41
Rot. Bonds5

About (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate

(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate (PubChem CID 20851144) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
PubChem CID20851144
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
SMILESCS(=O)(=O)c1cc(Cl)ccc1NCC(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO4S/c1-23(20,21)14-8-11(17)4-7-13(14)18-9-15(19)22-12-5-2-10(16)3-6-12/h2-8,18H,9H2,1H3
InChIKeyPFRAJODTMIAGPM-UHFFFAOYSA-N
XLogP3.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
(4-chlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137320625
N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
CID 56578585
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
methyl 2-(2-acetamido-5-chloroanilino)acetate
CID 60603139
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
(4-chlorophenyl) 2-methoxyacetate
CID 849221
[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
CID 99802669
(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20851016
N-(5-chloro-2-methylsulfonylphenyl)acetamide
CID 67747671
4-chloro-2-methylsulfonylphenol
CID 130032505

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate?
The IUPAC name of (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate (CID 20851144) is (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate.
What is the SMILES notation for (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate?
The canonical SMILES for (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate is CS(=O)(=O)c1cc(Cl)ccc1NCC(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate?
The InChIKey is PFRAJODTMIAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-23(20,21)14-8-11(17)4-7-13(14)18-9-15(19)22-12-5-2-10(16)3-6-12/h2-8,18H,9H2,1H3.
What are the key properties of (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate?
(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate has a molecular weight of 374.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate is sourced from PubChem (CID 20851144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).