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

C13H15FN2O2S2 — CID 126823509

IUPACN-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)sn1
InChIInChI=1S/C13H15FN2O2S2/c1-9-8-13(19-15-9)20(17,18)16(3)10(2)11-4-6-12(14)7-5-11/h4-8,10H,1-3H3
InChIKeyYMRCSFKIBOXQBX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.97
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide (PubChem CID 126823509) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide
PubChem CID126823509
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)sn1
InChIInChI=1S/C13H15FN2O2S2/c1-9-8-13(19-15-9)20(17,18)16(3)10(2)11-4-6-12(14)7-5-11/h4-8,10H,1-3H3
InChIKeyYMRCSFKIBOXQBX-UHFFFAOYSA-N
XLogP2.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide (CID 126823509) is N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide is Cc1cc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)sn1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide?
The InChIKey is YMRCSFKIBOXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-9-8-13(19-15-9)20(17,18)16(3)10(2)11-4-6-12(14)7-5-11/h4-8,10H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide?
N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 126823509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).