N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide

C14H17FN2O2S2 — CID 7518666

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O2S2/c1-10(2)21(18,19)16-8-7-13-9-20-14(17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyXMWLDSWIDFMOGM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide (PubChem CID 7518666) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
PubChem CID7518666
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O2S2/c1-10(2)21(18,19)16-8-7-13-9-20-14(17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyXMWLDSWIDFMOGM-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 7518657
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]butane-1-sulfonamide
CID 110317219
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]pentyl]propane-2-sulfonamide
CID 59549747
N'-tert-butyl-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7522183
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2-methoxyethanesulfonamide
CID 7530807
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110317368

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide (CID 7518666) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide?
The InChIKey is XMWLDSWIDFMOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10(2)21(18,19)16-8-7-13-9-20-14(17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]propane-2-sulfonamide is sourced from PubChem (CID 7518666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).