N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide

C11H14ClNO5S — CID 167798625

IUPACN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)=O
InChIInChI=1S/C11H14ClNO5S/c1-8(14)13-19(15,16)11-7-9(12)3-4-10(11)18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyZIJONWBFRVRGQV-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.19
Rot. Bonds6

About N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide

N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide (PubChem CID 167798625) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
PubChem CID167798625
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
SMILESCOCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)=O
InChIInChI=1S/C11H14ClNO5S/c1-8(14)13-19(15,16)11-7-9(12)3-4-10(11)18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyZIJONWBFRVRGQV-UHFFFAOYSA-N
XLogP1.19
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide 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-[acetyl(methyl)amino]-N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 155945677
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonyl-2,3-dihydrofuran-4-carboxamide
CID 155945670
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methoxypropanamide
CID 155949392
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
N-[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]sulfonyl-2-methylbutanamide
CID 155949381
1-[5-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 104563243
1-(5-chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]propanamide
CID 43890314
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide (CID 167798625) is N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide is COCCOc1ccc(Cl)cc1S(=O)(=O)NC(C)=O.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
The InChIKey is ZIJONWBFRVRGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-8(14)13-19(15,16)11-7-9(12)3-4-10(11)18-6-5-17-2/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide?
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide has a molecular weight of 307.76 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide is sourced from PubChem (CID 167798625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).