4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide

C18H17FN2O3S2 — CID 78819960

IUPAC4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-15-7-9-17(10-8-15)26(22,23)21-18-20-12-16(25-18)11-13-3-5-14(19)6-4-13/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyGUJYGSPQSOSXAB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.07
Rot. Bonds7

About 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide

4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 78819960) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID78819960
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-2-24-15-7-9-17(10-8-15)26(22,23)21-18-20-12-16(25-18)11-13-3-5-14(19)6-4-13/h3-10,12H,2,11H2,1H3,(H,20,21)
InChIKeyGUJYGSPQSOSXAB-UHFFFAOYSA-N
XLogP4.07
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 112818482
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1190866
1-tert-butyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 86937894
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 1143617
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 112812067
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836241
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
methyl 3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 112812076
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 78819960) is 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is GUJYGSPQSOSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-2-24-15-7-9-17(10-8-15)26(22,23)21-18-20-12-16(25-18)11-13-3-5-14(19)6-4-13/h3-10,12H,2,11H2,1H3,(H,20,21).
What are the key properties of 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 78819960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).