4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide

C18H17FN2O3S2 — CID 47075173

IUPAC4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-21(26(22,23)17-9-7-14(19)8-10-17)11-15-13-25-18(20-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyOIROPSQRKAAIEY-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.68
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide

4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (PubChem CID 47075173) has the molecular formula C18H17FN2O3S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
PubChem CID47075173
Molecular FormulaC18H17FN2O3S2
Molecular Weight392.48 g/mol
Exact Mass392.07
IUPAC Name4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide
SMILESCN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S2/c1-21(26(22,23)17-9-7-14(19)8-10-17)11-15-13-25-18(20-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyOIROPSQRKAAIEY-UHFFFAOYSA-N
XLogP3.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide (CID 47075173) is 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is CN(Cc1csc(COc2ccccc2)n1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
The InChIKey is OIROPSQRKAAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S2/c1-21(26(22,23)17-9-7-14(19)8-10-17)11-15-13-25-18(20-15)12-24-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 47075173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).