2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

C12H12ClFN2O2S2 — CID 43566268

IUPAC2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)16-8)20(17,18)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,15H,5-6H2,1H3
InChIKeySMYGYQHEASIHBG-UHFFFAOYSA-N
MW334.83 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43566268) has the molecular formula C12H12ClFN2O2S2 and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43566268
Molecular FormulaC12H12ClFN2O2S2
Molecular Weight334.83 g/mol
Exact Mass334.00
IUPAC Name2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)16-8)20(17,18)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,15H,5-6H2,1H3
InChIKeySMYGYQHEASIHBG-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 43566268) is 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is SMYGYQHEASIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2S2/c1-8-11(19-12(13)16-8)20(17,18)15-6-5-9-3-2-4-10(14)7-9/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).