2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid

C14H11Cl2NO4S — CID 22301669

IUPAC2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
SMILESO=C(O)CNc1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-9-1-4-11(5-2-9)22(20,21)13-7-10(16)3-6-12(13)17-8-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyZPUJWNAOPVLEAO-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid

2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid (PubChem CID 22301669) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
PubChem CID22301669
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
SMILESO=C(O)CNc1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11Cl2NO4S/c15-9-1-4-11(5-2-9)22(20,21)13-7-10(16)3-6-12(13)17-8-14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyZPUJWNAOPVLEAO-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[[2-[4-chloro-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 22305239
(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20851016
(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
CID 20851144
2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid
CID 20850908
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 22304049
N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
CID 56578585
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
2-[4-chloro-2-(2-methoxy-2-oxoethanimidoyl)anilino]acetic acid
CID 129229320

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid?
The IUPAC name of 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid (CID 22301669) is 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid?
The canonical SMILES for 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid is O=C(O)CNc1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid?
The InChIKey is ZPUJWNAOPVLEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-9-1-4-11(5-2-9)22(20,21)13-7-10(16)3-6-12(13)17-8-14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid?
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid has a molecular weight of 360.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid is sourced from PubChem (CID 22301669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).