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

C12H16ClNO4S — CID 47217645

IUPAC2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-9(12(15)14-7-8-18-2)19(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJQVGSOXVLPUWOE-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.26
Rot. Bonds6

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

2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (PubChem CID 47217645) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
PubChem CID47217645
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO4S/c1-9(12(15)14-7-8-18-2)19(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyJQVGSOXVLPUWOE-UHFFFAOYSA-N
XLogP1.26
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
CID 81201903

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (CID 47217645) is 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The InChIKey is JQVGSOXVLPUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-9(12(15)14-7-8-18-2)19(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide has a molecular weight of 305.78 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 47217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).