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

C13H15FN2O2S2 — CID 110716065

IUPAC4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCc2nccs2)ccc1F
InChIInChI=1S/C13H15FN2O2S2/c1-10-9-11(3-4-12(10)14)20(17,18)16(2)7-5-13-15-6-8-19-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyLDLPJKFBIHIJJS-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.45
Rot. Bonds5

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

4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 110716065) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID110716065
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCc2nccs2)ccc1F
InChIInChI=1S/C13H15FN2O2S2/c1-10-9-11(3-4-12(10)14)20(17,18)16(2)7-5-13-15-6-8-19-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyLDLPJKFBIHIJJS-UHFFFAOYSA-N
XLogP2.45
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 110716065) is 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCc2nccs2)ccc1F.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LDLPJKFBIHIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-10-9-11(3-4-12(10)14)20(17,18)16(2)7-5-13-15-6-8-19-13/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110716065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).