5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide

C11H17FN2O2S — CID 43265424

IUPAC5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O2S/c1-4-14(8(2)3)17(15,16)11-7-9(13)5-6-10(11)12/h5-8H,4,13H2,1-3H3
InChIKeyPIYUTRUINFDUHY-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.83
Rot. Bonds4

About 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide

5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 43265424) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
PubChem CID43265424
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O2S/c1-4-14(8(2)3)17(15,16)11-7-9(13)5-6-10(11)12/h5-8H,4,13H2,1-3H3
InChIKeyPIYUTRUINFDUHY-UHFFFAOYSA-N
XLogP1.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265441
5-amino-N-(2-cyanopropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 61141061
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
N-butan-2-yl-N-ethyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 43454763
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
5-amino-N-butan-2-yl-N-ethyl-2-methoxybenzenesulfonamide
CID 43274191
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 113475408

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide (CID 43265424) is 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide is CCN(C(C)C)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is PIYUTRUINFDUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-4-14(8(2)3)17(15,16)11-7-9(13)5-6-10(11)12/h5-8H,4,13H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide?
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43265424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).