2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide

C11H15FN2O5S2 — CID 103101779

IUPAC2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O5S2/c1-3-14(7-11(13)15)21(18,19)10-6-8(20(2,16)17)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyUZQXAUIQFZJPGK-UHFFFAOYSA-N
MW338.38 g/mol
LogP-0.27
Rot. Bonds6

About 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide

2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide (PubChem CID 103101779) has the molecular formula C11H15FN2O5S2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
PubChem CID103101779
Molecular FormulaC11H15FN2O5S2
Molecular Weight338.38 g/mol
Exact Mass338.04
IUPAC Name2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C11H15FN2O5S2/c1-3-14(7-11(13)15)21(18,19)10-6-8(20(2,16)17)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyUZQXAUIQFZJPGK-UHFFFAOYSA-N
XLogP-0.27
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101048
N-(2-cyanoethyl)-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61046290
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604
2-fluoro-N-methyl-5-methylsulfonyl-N-pentan-3-ylbenzenesulfonamide
CID 43571193
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-5-chloro-2-fluorobenzoic acid
CID 103101580
2-[ethyl-(2-fluoro-5-nitrophenyl)sulfonylamino]acetic acid
CID 61012923

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide (CID 103101779) is 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide is CCN(CC(N)=O)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide?
The InChIKey is UZQXAUIQFZJPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5S2/c1-3-14(7-11(13)15)21(18,19)10-6-8(20(2,16)17)4-5-9(10)12/h4-6H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide?
2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide has a molecular weight of 338.38 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 103101779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).