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

C13H15FN2O3S2 — CID 60984251

IUPACN-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-6-4-5-7-11(10)14/h4-7,9H,1-3H3,(H,15,17)
InChIKeyBXJWKIBQCGLXHZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.27
Rot. Bonds4

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

N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60984251) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60984251
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-6-4-5-7-11(10)14/h4-7,9H,1-3H3,(H,15,17)
InChIKeyBXJWKIBQCGLXHZ-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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Related Compounds

CID 40138955
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CID 68119705
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CID 40138953
CID 40138953
CID 40138968
CID 40138968
CID 42939515
CID 42939515
CID 54884371
CID 54884371
CID 60712692
CID 60712692
CID 60712707
CID 60712707
CID 60712771
CID 60712771
CID 60712841
CID 60712841
CID 60712852
CID 60712852
CID 60715980
CID 60715980

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60984251) is N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(2-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)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BXJWKIBQCGLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-8-12(20-13(17)15-8)21(18,19)16(3)9(2)10-6-4-5-7-11(10)14/h4-7,9H,1-3H3,(H,15,17).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(2-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-(2-fluorophenyl)ethyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).