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

C11H11FN2O3S2 — CID 60715980

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-2-4-9(12)5-3-8/h2-5,13H,6H2,1H3,(H,14,15)
InChIKeyOUKJGYDCLRTMNV-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.36
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60715980) has the molecular formula C11H11FN2O3S2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60715980
Molecular FormulaC11H11FN2O3S2
Molecular Weight302.35 g/mol
Exact Mass302.02
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-2-4-9(12)5-3-8/h2-5,13H,6H2,1H3,(H,14,15)
InChIKeyOUKJGYDCLRTMNV-UHFFFAOYSA-N
XLogP1.36
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60715980) is N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is OUKJGYDCLRTMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S2/c1-7-10(18-11(15)14-7)19(16,17)13-6-8-2-4-9(12)5-3-8/h2-5,13H,6H2,1H3,(H,14,15).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 302.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).