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

C11H15FN2O2S2 — CID 103062299

IUPAC5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C11H15FN2O2S2/c1-7-10(12)4-8(13)5-11(7)18(15,16)14-9-2-3-17-6-9/h4-5,9,14H,2-3,6,13H2,1H3
InChIKeyNCVAZTKRDJOWQZ-UHFFFAOYSA-N
MW290.38 g/mol
LogP1.50
Rot. Bonds3

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

5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103062299) has the molecular formula C11H15FN2O2S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103062299
Molecular FormulaC11H15FN2O2S2
Molecular Weight290.38 g/mol
Exact Mass290.06
IUPAC Name5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC1CCSC1
InChIInChI=1S/C11H15FN2O2S2/c1-7-10(12)4-8(13)5-11(7)18(15,16)14-9-2-3-17-6-9/h4-5,9,14H,2-3,6,13H2,1H3
InChIKeyNCVAZTKRDJOWQZ-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 51.50
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

5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
2-amino-5-bromo-4-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106492192
2-amino-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064624
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-(methylamino)-5-methylsulfonyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103064611
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
3-amino-2,5-diethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 107407116
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299
2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 113318697

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide (CID 103062299) is 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NC1CCSC1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is NCVAZTKRDJOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S2/c1-7-10(12)4-8(13)5-11(7)18(15,16)14-9-2-3-17-6-9/h4-5,9,14H,2-3,6,13H2,1H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 290.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103062299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).