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

C13H14ClFN2O2S2 — CID 75523877

IUPAC2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCN(CCc1nccs1)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-17(8-6-12-16-7-9-20-12)21(18,19)13-10(14)4-3-5-11(13)15/h3-5,7,9H,2,6,8H2,1H3
InChIKeyKKOAGHDRLASJHS-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.19
Rot. Bonds6

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

2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 75523877) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID75523877
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC Name2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCCN(CCc1nccs1)S(=O)(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O2S2/c1-2-17(8-6-12-16-7-9-20-12)21(18,19)13-10(14)4-3-5-11(13)15/h3-5,7,9H,2,6,8H2,1H3
InChIKeyKKOAGHDRLASJHS-UHFFFAOYSA-N
XLogP3.19
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 75523877) is 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is CCN(CCc1nccs1)S(=O)(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KKOAGHDRLASJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-2-17(8-6-12-16-7-9-20-12)21(18,19)13-10(14)4-3-5-11(13)15/h3-5,7,9H,2,6,8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 75523877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).