(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate

C20H15Cl2NO4S — CID 20851016

IUPAC(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
SMILESO=C(CNc1ccccc1S(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c21-14-10-11-18(16(22)12-14)27-20(24)13-23-17-8-4-5-9-19(17)28(25,26)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyNCXQWURKQJZKHO-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.84
Rot. Bonds6

About (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate

(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate (PubChem CID 20851016) has the molecular formula C20H15Cl2NO4S and a molecular weight of 436.32 g/mol. Its IUPAC name is (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
PubChem CID20851016
Molecular FormulaC20H15Cl2NO4S
Molecular Weight436.32 g/mol
Exact Mass435.01
IUPAC Name(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
SMILESO=C(CNc1ccccc1S(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO4S/c21-14-10-11-18(16(22)12-14)27-20(24)13-23-17-8-4-5-9-19(17)28(25,26)15-6-2-1-3-7-15/h1-12,23H,13H2
InChIKeyNCXQWURKQJZKHO-UHFFFAOYSA-N
XLogP4.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.84
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

(4-chloronaphthalen-1-yl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20851022
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(4-chloro-2-methylphenyl) 2-(2-nitroanilino)acetate
CID 56799793
[2-(2-chloroanilino)acetyl] 2-(2-chloroanilino)acetate
CID 175490190
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
CID 20851144
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
CID 142402098
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
CID 22304575

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate?
The IUPAC name of (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate (CID 20851016) is (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate.
What is the SMILES notation for (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate?
The canonical SMILES for (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate is O=C(CNc1ccccc1S(=O)(=O)c1ccccc1)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate?
The InChIKey is NCXQWURKQJZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO4S/c21-14-10-11-18(16(22)12-14)27-20(24)13-23-17-8-4-5-9-19(17)28(25,26)15-6-2-1-3-7-15/h1-12,23H,13H2.
What are the key properties of (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate?
(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate has a molecular weight of 436.32 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate is sourced from PubChem (CID 20851016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).