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

C13H15FN2O3S2 — CID 60724801

IUPACN-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-4-6-11(14)7-5-10/h4-7,9H,1-3H3,(H,15,17)
InChIKeyLHOCPKUNGDNKSW-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.27
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60724801) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60724801
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-4-6-11(14)7-5-10/h4-7,9H,1-3H3,(H,15,17)
InChIKeyLHOCPKUNGDNKSW-UHFFFAOYSA-N
XLogP2.27
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60724801) is N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is LHOCPKUNGDNKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-4-6-11(14)7-5-10/h4-7,9H,1-3H3,(H,15,17).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60724801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).