2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid

C10H9Cl2NO4S — CID 5102061

IUPAC2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
SMILESO=C(O)CS(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO4S/c11-6-1-2-8(7(12)3-6)13-9(14)4-18(17)5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyWNTIKQJCPFTHAW-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid

2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid (PubChem CID 5102061) has the molecular formula C10H9Cl2NO4S and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
PubChem CID5102061
Molecular FormulaC10H9Cl2NO4S
Molecular Weight310.16 g/mol
Exact Mass308.96
IUPAC Name2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
SMILESO=C(O)CS(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO4S/c11-6-1-2-8(7(12)3-6)13-9(14)4-18(17)5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyWNTIKQJCPFTHAW-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)methylsulfinyl]-N-(2,4-dichlorophenyl)acetamide
CID 1488229
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-2-isocyanoacetamide
CID 108814659
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
CID 97340008

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid?
The IUPAC name of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid (CID 5102061) is 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid.
What is the SMILES notation for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid?
The canonical SMILES for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid is O=C(O)CS(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid?
The InChIKey is WNTIKQJCPFTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO4S/c11-6-1-2-8(7(12)3-6)13-9(14)4-18(17)5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid?
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid has a molecular weight of 310.16 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid is sourced from PubChem (CID 5102061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).