N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

C17H14F2N2O2S2 — CID 110317259

IUPACN-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2c(F)cccc2F)n1)c1ccccc1
InChIInChI=1S/C17H14F2N2O2S2/c18-14-7-4-8-15(19)16(14)17-21-12(11-24-17)9-10-20-25(22,23)13-5-2-1-3-6-13/h1-8,11,20H,9-10H2
InChIKeyVLEJMDCBKGQHPG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.61
Rot. Bonds6

About N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 110317259) has the molecular formula C17H14F2N2O2S2 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID110317259
Molecular FormulaC17H14F2N2O2S2
Molecular Weight380.44 g/mol
Exact Mass380.05
IUPAC NameN-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2c(F)cccc2F)n1)c1ccccc1
InChIInChI=1S/C17H14F2N2O2S2/c18-14-7-4-8-15(19)16(14)17-21-12(11-24-17)9-10-20-25(22,23)13-5-2-1-3-6-13/h1-8,11,20H,9-10H2
InChIKeyVLEJMDCBKGQHPG-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-5-methylthiophene-2-sulfonamide
CID 110317199
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110284985
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
CID 110625038
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-fluorobenzenesulfonamide
CID 90571042
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110317221
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 110317259) is N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2c(F)cccc2F)n1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is VLEJMDCBKGQHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2S2/c18-14-7-4-8-15(19)16(14)17-21-12(11-24-17)9-10-20-25(22,23)13-5-2-1-3-6-13/h1-8,11,20H,9-10H2.
What are the key properties of N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110317259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).