2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

C12H17FN2O4S — CID 81186724

IUPAC2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyNBELKPXHBUNAQN-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.33
Rot. Bonds6

About 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide

2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81186724) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81186724
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C12H17FN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyNBELKPXHBUNAQN-UHFFFAOYSA-N
XLogP0.33
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-difluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 47218635
N-(1-methoxypropan-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309469
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
CID 81190581
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
2-(4-amino-3-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81202581
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
ethyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]propanoate
CID 82844635
N-(1-methoxypropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 60651368
2-fluoro-4-(4-methylpentylsulfonyl)aniline
CID 83163544
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide (CID 81186724) is 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is NBELKPXHBUNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8(6-19-2)15-12(16)7-20(17,18)9-3-4-11(14)10(13)5-9/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide?
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81186724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).