2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide

C12H17FN2O3S — CID 81186168

IUPAC2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)15-11(16)7-19(17,18)10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyOECAJKRYYRVXSN-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.10
Rot. Bonds3

About 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide

2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide (PubChem CID 81186168) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
PubChem CID81186168
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C12H17FN2O3S/c1-12(2,3)15-11(16)7-19(17,18)10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyOECAJKRYYRVXSN-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(2-amino-5-fluorophenyl)sulfonyl-N-methylacetamide
CID 81182916
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-ethylacetamide
CID 81174568
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
2-(2-amino-5-fluorophenoxy)-N-tert-butylacetamide
CID 16772032
2-(2-amino-5-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 79148601
2-(2-amino-4-methylphenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 81192842
5-fluoro-2-methylsulfonylaniline
CID 22567345

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide (CID 81186168) is 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide is CC(C)(C)NC(=O)CS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide?
The InChIKey is OECAJKRYYRVXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-12(2,3)15-11(16)7-19(17,18)10-5-4-8(13)6-9(10)14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide?
2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide has a molecular weight of 288.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfonyl-N-tert-butylacetamide is sourced from PubChem (CID 81186168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).