2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C11H12FN3O2S2 — CID 63238706

IUPAC2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H12FN3O2S2/c12-8-2-1-3-9(13)11(8)19(16,17)15-5-4-10-14-6-7-18-10/h1-3,6-7,15H,4-5,13H2
InChIKeyXUURQOCPXKVCTC-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 63238706) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID63238706
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCCc1nccs1
InChIInChI=1S/C11H12FN3O2S2/c12-8-2-1-3-9(13)11(8)19(16,17)15-5-4-10-14-6-7-18-10/h1-3,6-7,15H,4-5,13H2
InChIKeyXUURQOCPXKVCTC-UHFFFAOYSA-N
XLogP1.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62058190
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242054
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83202803
2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 114185734
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 63238706) is 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)NCCc1nccs1.
What is the InChIKey of 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XUURQOCPXKVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c12-8-2-1-3-9(13)11(8)19(16,17)15-5-4-10-14-6-7-18-10/h1-3,6-7,15H,4-5,13H2.
What are the key properties of 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63238706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).