2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide

C12H17F2N3O3S — CID 65020746

IUPAC2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H17F2N3O3S/c1-4-17(7-11(18)16(2)3)21(19,20)10-6-8(15)5-9(13)12(10)14/h5-6H,4,7,15H2,1-3H3
InChIKeyPZEDLZWGHMCRBJ-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.65
Rot. Bonds5

About 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide

2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 65020746) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
PubChem CID65020746
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC Name2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H17F2N3O3S/c1-4-17(7-11(18)16(2)3)21(19,20)10-6-8(15)5-9(13)12(10)14/h5-6H,4,7,15H2,1-3H3
InChIKeyPZEDLZWGHMCRBJ-UHFFFAOYSA-N
XLogP0.65
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604
ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
CID 65020877
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-[(4-amino-2-chlorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587561
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 63288245
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112656684
2-[(5-amino-2-fluoro-3-methylphenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 80642681

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide (CID 65020746) is 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is PZEDLZWGHMCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-4-17(7-11(18)16(2)3)21(19,20)10-6-8(15)5-9(13)12(10)14/h5-6H,4,7,15H2,1-3H3.
What are the key properties of 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide?
2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 321.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-difluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 65020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).