2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

C12H17ClN2O4S — CID 81184295

IUPAC2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(12(16)15-6-7-19-2)20(17,18)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyQUPZYZIHCBZXSY-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.85
Rot. Bonds6

About 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (PubChem CID 81184295) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
PubChem CID81184295
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-8(12(16)15-6-7-19-2)20(17,18)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyQUPZYZIHCBZXSY-UHFFFAOYSA-N
XLogP0.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide 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-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
2-(2-amino-6-chlorophenyl)sulfonylpropanamide
CID 81186260
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81185588
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
3-chloro-2-(methoxymethylsulfonyl)aniline
CID 81182200

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (CID 81184295) is 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The InChIKey is QUPZYZIHCBZXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(12(16)15-6-7-19-2)20(17,18)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide has a molecular weight of 320.80 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81184295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).