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

C11H11FN2O2S2 — CID 63825171

IUPAC2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccccc1F
InChIInChI=1S/C11H11FN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2
InChIKeyNIWAZICAVJNLCX-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.80
Rot. Bonds5

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

2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63825171) has the molecular formula C11H11FN2O2S2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63825171
Molecular FormulaC11H11FN2O2S2
Molecular Weight286.35 g/mol
Exact Mass286.02
IUPAC Name2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cscn1)c1ccccc1F
InChIInChI=1S/C11H11FN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2
InChIKeyNIWAZICAVJNLCX-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

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
4-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63824991
3-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597364
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
3-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825962
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484
2-fluoro-5-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]benzenecarbothioamide
CID 63824301
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 103717223

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63825171) is 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cscn1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is NIWAZICAVJNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S2/c12-10-3-1-2-4-11(10)18(15,16)14-6-5-9-7-17-8-13-9/h1-4,7-8,14H,5-6H2.
What are the key properties of 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2-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 2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63825171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).