2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid

C10H8Cl2FNO3S — CID 104570285

IUPAC2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H8Cl2FNO3S/c11-6-1-5(13)2-7(12)10(6)14-8(15)3-18-4-9(16)17/h1-2H,3-4H2,(H,14,15)(H,16,17)
InChIKeyXGCWIRBGXPRPSX-UHFFFAOYSA-N
MW312.15 g/mol
LogP2.89
Rot. Bonds5

About 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid

2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 104570285) has the molecular formula C10H8Cl2FNO3S and a molecular weight of 312.15 g/mol. Its IUPAC name is 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
PubChem CID104570285
Molecular FormulaC10H8Cl2FNO3S
Molecular Weight312.15 g/mol
Exact Mass310.96
IUPAC Name2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H8Cl2FNO3S/c11-6-1-5(13)2-7(12)10(6)14-8(15)3-18-4-9(16)17/h1-2H,3-4H2,(H,14,15)(H,16,17)
InChIKeyXGCWIRBGXPRPSX-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic 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-(3-chloro-5-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 107363768
2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237551
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
N-(2,6-dichloro-4-fluorophenyl)-2-(ethylamino)acetamide
CID 83078558
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961
3-[(2,6-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 83077990
2-[2-(2-chloro-5-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 112682889
2-chloro-N-[(2,6-dichloro-4-fluorophenyl)carbamoyl]acetamide
CID 83079339
4-(2,6-dichloro-4-fluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 83076789
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83078795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid (CID 104570285) is 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is XGCWIRBGXPRPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO3S/c11-6-1-5(13)2-7(12)10(6)14-8(15)3-18-4-9(16)17/h1-2H,3-4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 312.15 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104570285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).