2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide

C11H9ClF2N2O2S2 — CID 61051781

IUPAC2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)c1cc(F)ccc1F
InChIInChI=1S/C11H9ClF2N2O2S2/c1-6(8-4-7(13)2-3-9(8)14)16-20(17,18)10-5-15-11(12)19-10/h2-6,16H,1H3
InChIKeyOTZJPQKWHGQFMF-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.11
Rot. Bonds4

About 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 61051781) has the molecular formula C11H9ClF2N2O2S2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID61051781
Molecular FormulaC11H9ClF2N2O2S2
Molecular Weight338.79 g/mol
Exact Mass337.98
IUPAC Name2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(Cl)s1)c1cc(F)ccc1F
InChIInChI=1S/C11H9ClF2N2O2S2/c1-6(8-4-7(13)2-3-9(8)14)16-20(17,18)10-5-15-11(12)19-10/h2-6,16H,1H3
InChIKeyOTZJPQKWHGQFMF-UHFFFAOYSA-N
XLogP3.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 61051605
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
1-chloro-N-[1-(2,5-difluorophenyl)ethyl]methanesulfonamide
CID 63665787
3-chloro-N-[1-(2,5-difluorophenyl)ethyl]propane-1-sulfonamide
CID 54877229
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 65467042
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
2-chloro-N-(1-cyclohexylethyl)-1,3-thiazole-5-sulfonamide
CID 55069221
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
CID 113406898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide (CID 61051781) is 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide is CC(NS(=O)(=O)c1cnc(Cl)s1)c1cc(F)ccc1F.
What is the InChIKey of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is OTZJPQKWHGQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O2S2/c1-6(8-4-7(13)2-3-9(8)14)16-20(17,18)10-5-15-11(12)19-10/h2-6,16H,1H3.
What are the key properties of 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 338.79 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61051781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).