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

C11H12FN3O2S2 — CID 82844642

IUPAC4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2nccs2)cc1F
InChIInChI=1S/C11H12FN3O2S2/c12-9-7-8(1-2-10(9)13)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2
InChIKeyYTDSGFZPBBLWMF-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.39
Rot. Bonds5

About 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 82844642) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID82844642
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2nccs2)cc1F
InChIInChI=1S/C11H12FN3O2S2/c12-9-7-8(1-2-10(9)13)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2
InChIKeyYTDSGFZPBBLWMF-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

5-amino-2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238752
3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 49460186
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
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
3-chloro-4-cyano-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115598540
N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 49460202

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 82844642) is 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2nccs2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is YTDSGFZPBBLWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c12-9-7-8(1-2-10(9)13)19(16,17)15-4-3-11-14-5-6-18-11/h1-2,5-7,15H,3-4,13H2.
What are the key properties of 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-amino-3-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 4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 82844642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).