2-(4-amino-2,6-difluorophenyl)sulfonylacetamide

C8H8F2N2O3S — CID 61366888

IUPAC2-(4-amino-2,6-difluorophenyl)sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H8F2N2O3S/c9-5-1-4(11)2-6(10)8(5)16(14,15)3-7(12)13/h1-2H,3,11H2,(H2,12,13)
InChIKeyLWZYLBWLTAGGPZ-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.19
Rot. Bonds3

About 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide

2-(4-amino-2,6-difluorophenyl)sulfonylacetamide (PubChem CID 61366888) has the molecular formula C8H8F2N2O3S and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfonylacetamide
PubChem CID61366888
Molecular FormulaC8H8F2N2O3S
Molecular Weight250.23 g/mol
Exact Mass250.02
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfonylacetamide
SMILESNC(=O)CS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H8F2N2O3S/c9-5-1-4(11)2-6(10)8(5)16(14,15)3-7(12)13/h1-2H,3,11H2,(H2,12,13)
InChIKeyLWZYLBWLTAGGPZ-UHFFFAOYSA-N
XLogP-0.19
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.19
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

3,5-difluoro-4-(2-methoxyethylsulfonyl)aniline
CID 61369182
3,5-difluoro-4-pentylsulfonylaniline
CID 61368233
2-(4-amino-2,6-difluorophenyl)sulfonylguanidine
CID 116646238
3,5-difluoro-4-nonylsulfonylaniline
CID 61366703
3,5-difluoro-4-hexylsulfonylaniline
CID 61366705
4-(2-ethylsulfanylethylsulfonyl)-3,5-difluoroaniline
CID 113474111
2-(2-amino-5-fluorophenyl)sulfonylacetamide
CID 81182832
4-[3-(dimethylamino)propylsulfonyl]-3,5-difluoroaniline
CID 114526479
3,5-difluoro-4-(2-pyridin-4-ylethylsulfonyl)aniline
CID 61367659
4-[(4-chloro-3-fluorophenyl)methylsulfonyl]-3,5-difluoroaniline
CID 107885871
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61367469

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide (CID 61366888) is 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide is NC(=O)CS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide?
The InChIKey is LWZYLBWLTAGGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3S/c9-5-1-4(11)2-6(10)8(5)16(14,15)3-7(12)13/h1-2H,3,11H2,(H2,12,13).
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide?
2-(4-amino-2,6-difluorophenyl)sulfonylacetamide has a molecular weight of 250.23 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfonylacetamide is sourced from PubChem (CID 61366888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).