2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide

C12H17F2N3O3S — CID 115355883

IUPAC2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H17F2N3O3S/c1-12(2,3)17-10(18)6-16-21(19,20)9-5-7(15)4-8(13)11(9)14/h4-5,16H,6,15H2,1-3H3,(H,17,18)
InChIKeyHATDVPJBMKKSLN-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.74
Rot. Bonds4

About 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide

2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide (PubChem CID 115355883) has the molecular formula C12H17F2N3O3S and a molecular weight of 321.35 g/mol. Its IUPAC name is 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
PubChem CID115355883
Molecular FormulaC12H17F2N3O3S
Molecular Weight321.35 g/mol
Exact Mass321.10
IUPAC Name2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C12H17F2N3O3S/c1-12(2,3)17-10(18)6-16-21(19,20)9-5-7(15)4-8(13)11(9)14/h4-5,16H,6,15H2,1-3H3,(H,17,18)
InChIKeyHATDVPJBMKKSLN-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
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-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
2-[(3-amino-2,5-dimethylphenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355937
5-amino-2,3-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzenesulfonamide
CID 106139996
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
5-amino-N-(2,3-dihydroxypropyl)-2,3-difluorobenzenesulfonamide
CID 66176945
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
5-amino-N-but-3-ynyl-2,3-difluorobenzenesulfonamide
CID 65022706
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
2-[(5-amino-3-bromo-2-chlorophenyl)sulfonylamino]-N-methylacetamide
CID 114274501

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide (CID 115355883) is 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide?
The InChIKey is HATDVPJBMKKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O3S/c1-12(2,3)17-10(18)6-16-21(19,20)9-5-7(15)4-8(13)11(9)14/h4-5,16H,6,15H2,1-3H3,(H,17,18).
What are the key properties of 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide?
2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide has a molecular weight of 321.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-difluorophenyl)sulfonylamino]-N-tert-butylacetamide is sourced from PubChem (CID 115355883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).