N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide

C13H15FN2O2S2 — CID 7222659

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C13H15FN2O2S2/c1-9-12(19-10(2)16-9)7-8-15-20(17,18)13-6-4-3-5-11(13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyDTNZMKZJFPCIPB-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 7222659) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide
PubChem CID7222659
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(C)c(CCNS(=O)(=O)c2ccccc2F)s1
InChIInChI=1S/C13H15FN2O2S2/c1-9-12(19-10(2)16-9)7-8-15-20(17,18)13-6-4-3-5-11(13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyDTNZMKZJFPCIPB-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide (CID 7222659) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide is Cc1nc(C)c(CCNS(=O)(=O)c2ccccc2F)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is DTNZMKZJFPCIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-9-12(19-10(2)16-9)7-8-15-20(17,18)13-6-4-3-5-11(13)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 7222659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).