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

C13H15FN2O3S2 — CID 62994993

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S2/c1-8(7-10-3-5-11(14)6-4-10)16-21(18,19)12-9(2)15-13(17)20-12/h3-6,8,16H,7H2,1-2H3,(H,15,17)
InChIKeyXXVQLRDLCNOWPY-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.79
Rot. Bonds5

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

N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 62994993) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID62994993
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S2/c1-8(7-10-3-5-11(14)6-4-10)16-21(18,19)12-9(2)15-13(17)20-12/h3-6,8,16H,7H2,1-2H3,(H,15,17)
InChIKeyXXVQLRDLCNOWPY-UHFFFAOYSA-N
XLogP1.79
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.79
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)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 62994993) is N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is XXVQLRDLCNOWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-8(7-10-3-5-11(14)6-4-10)16-21(18,19)12-9(2)15-13(17)20-12/h3-6,8,16H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).