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

C12H13FN2O3S2 — CID 42939515

IUPACN-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S2/c1-7(9-3-5-10(13)6-4-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16)
InChIKeyXTOCLKBSZXVOSR-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.92
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 42939515) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID42939515
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S2/c1-7(9-3-5-10(13)6-4-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16)
InChIKeyXTOCLKBSZXVOSR-UHFFFAOYSA-N
XLogP1.92
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 42939515) is N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XTOCLKBSZXVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-7(9-3-5-10(13)6-4-9)15-20(17,18)11-8(2)14-12(16)19-11/h3-7,15H,1-2H3,(H,14,16).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 42939515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).