2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

C12H17ClN2O4S — CID 81174855

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O4S/c1-8(12(16)15-5-6-19-2)20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyFIUMROPXHZRPBI-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.85
Rot. Bonds6

About 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (PubChem CID 81174855) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
PubChem CID81174855
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O4S/c1-8(12(16)15-5-6-19-2)20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyFIUMROPXHZRPBI-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'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
CID 81175485
2-(2-amino-4-bromophenyl)sulfonyl-N-butylpropanamide
CID 81184579
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903
2-(2-amino-4-bromophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81185447
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (CID 81174855) is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The InChIKey is FIUMROPXHZRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(12(16)15-5-6-19-2)20(17,18)11-4-3-9(13)7-10(11)14/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
2-(2-amino-4-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-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81174855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).