2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

C12H16F2N2O4S — CID 61368807

IUPAC2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O4S/c1-7(12(17)16-3-4-20-2)21(18,19)11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyJRCJEHIXMVNHDY-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.47
Rot. Bonds6

About 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide

2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (PubChem CID 61368807) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
PubChem CID61368807
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O4S/c1-7(12(17)16-3-4-20-2)21(18,19)11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyJRCJEHIXMVNHDY-UHFFFAOYSA-N
XLogP0.47
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.47
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-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 61368809
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278
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-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,5-diaminobenzoate
CID 61322933

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide (CID 61368807) is 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
The InChIKey is JRCJEHIXMVNHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-7(12(17)16-3-4-20-2)21(18,19)11-9(13)5-8(15)6-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide?
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide has a molecular weight of 322.33 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 61368807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).