5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide

C11H15FN2O2S2 — CID 43296360

IUPAC5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2S2/c1-14(9-4-5-17-7-9)18(15,16)11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyHZMJIQRYWSONSY-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.53
Rot. Bonds3

About 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide

5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 43296360) has the molecular formula C11H15FN2O2S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID43296360
Molecular FormulaC11H15FN2O2S2
Molecular Weight290.38 g/mol
Exact Mass290.06
IUPAC Name5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2S2/c1-14(9-4-5-17-7-9)18(15,16)11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyHZMJIQRYWSONSY-UHFFFAOYSA-N
XLogP1.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide (CID 43296360) is 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide is CN(C1CCSC1)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is HZMJIQRYWSONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S2/c1-14(9-4-5-17-7-9)18(15,16)11-6-8(13)2-3-10(11)12/h2-3,6,9H,4-5,7,13H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide?
5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 290.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43296360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).