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

C11H11FN2O2S2 — CID 63824991

IUPAC4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c12-9-1-3-11(4-2-9)18(15,16)14-6-5-10-7-17-8-13-10/h1-4,7-8,14H,5-6H2
InChIKeyGIJSSESEIDLASL-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.80
Rot. Bonds5

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

4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63824991) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63824991
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O2S2/c12-9-1-3-11(4-2-9)18(15,16)14-6-5-10-7-17-8-13-10/h1-4,7-8,14H,5-6H2
InChIKeyGIJSSESEIDLASL-UHFFFAOYSA-N
XLogP1.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301
4-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825079
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
6-amino-5-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 64600162
3-amino-4,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829315
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824191

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63824991) is 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cscn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is GIJSSESEIDLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c12-9-1-3-11(4-2-9)18(15,16)14-6-5-10-7-17-8-13-10/h1-4,7-8,14H,5-6H2.
What are the key properties of 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63824991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).