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

C12H13FN2O3S2 — CID 60724736

IUPACN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)15-8)20(17,18)14-6-5-9-3-2-4-10(13)7-9/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyIUAIQHRYYLYFDK-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.40
Rot. Bonds5

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

N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724736) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724736
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)15-8)20(17,18)14-6-5-9-3-2-4-10(13)7-9/h2-4,7,14H,5-6H2,1H3,(H,15,16)
InChIKeyIUAIQHRYYLYFDK-UHFFFAOYSA-N
XLogP1.40
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63311592
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 81089930
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269
N-[2-(3-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26545349
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
methyl 2-[2-(3-fluorophenyl)ethylsulfamoyl]-6-(2-methylsulfanylacetyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 42238584
N-[(2-bromophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61402198
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724736) is N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is IUAIQHRYYLYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-8-11(19-12(16)15-8)20(17,18)14-6-5-9-3-2-4-10(13)7-9/h2-4,7,14H,5-6H2,1H3,(H,15,16).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).