2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide

C16H15ClF2N2O5S2 — CID 10389184

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide
SMILESO=C(COc1c(F)cc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1F)NO
InChIInChI=1S/C16H15ClF2N2O5S2/c17-10-1-3-12(4-2-10)28(24,25)20-5-6-27-11-7-13(18)16(14(19)8-11)26-9-15(22)21-23/h1-4,7-8,20,23H,5-6,9H2,(H,21,22)
InChIKeyZGXZHDIFEBHAON-UHFFFAOYSA-N
MW452.89 g/mol
LogP2.57
Rot. Bonds9

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide

2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide (PubChem CID 10389184) has the molecular formula C16H15ClF2N2O5S2 and a molecular weight of 452.89 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide
PubChem CID10389184
Molecular FormulaC16H15ClF2N2O5S2
Molecular Weight452.89 g/mol
Exact Mass452.01
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide
SMILESO=C(COc1c(F)cc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1F)NO
InChIInChI=1S/C16H15ClF2N2O5S2/c17-10-1-3-12(4-2-10)28(24,25)20-5-6-27-11-7-13(18)16(14(19)8-11)26-9-15(22)21-23/h1-4,7-8,20,23H,5-6,9H2,(H,21,22)
InChIKeyZGXZHDIFEBHAON-UHFFFAOYSA-N
XLogP2.57
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide 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-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]propanoic acid
CID 11744556
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700
[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]methyl acetate
CID 151450795
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10318745
ethyl 2-[4-[2-(4-chloroanilino)ethylsulfanyl]-2,6-difluorophenoxy]acetate
CID 142633124
N-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]-2-methylpropanamide
CID 175016364
2-[2,6-difluoro-4-[2-(hexadecylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid
CID 11757326
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
methyl 3-[2-(4-chlorophenyl)sulfanylethylsulfamoyl]benzoate
CID 31765421
2-[2,6-difluoro-4-[2-(phenylsulfanylamino)ethylsulfanyl]phenoxy]acetamide
CID 145228359

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide (CID 10389184) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide is O=C(COc1c(F)cc(SCCNS(=O)(=O)c2ccc(Cl)cc2)cc1F)NO.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide?
The InChIKey is ZGXZHDIFEBHAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O5S2/c17-10-1-3-12(4-2-10)28(24,25)20-5-6-27-11-7-13(18)16(14(19)8-11)26-9-15(22)21-23/h1-4,7-8,20,23H,5-6,9H2,(H,21,22).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide has a molecular weight of 452.89 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethylsulfanyl]-2,6-difluorophenoxy]-N-hydroxyacetamide is sourced from PubChem (CID 10389184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).