methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate

C18H16N2O5S2 — CID 52838954

IUPACmethyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1
InChIInChI=1S/C18H16N2O5S2/c1-24-18(21)13-5-7-17(8-6-13)27(22,23)20-14-3-2-4-16(9-14)25-10-15-11-26-12-19-15/h2-9,11-12,20H,10H2,1H3
InChIKeyXGSUKXLSOIMEBO-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.31
Rot. Bonds7

About methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate

methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate (PubChem CID 52838954) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
PubChem CID52838954
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC Namemethyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1
InChIInChI=1S/C18H16N2O5S2/c1-24-18(21)13-5-7-17(8-6-13)27(22,23)20-14-3-2-4-16(9-14)25-10-15-11-26-12-19-15/h2-9,11-12,20H,10H2,1H3
InChIKeyXGSUKXLSOIMEBO-UHFFFAOYSA-N
XLogP3.31
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
methyl 3-[(4-fluorophenyl)sulfonylamino]-5-[[[2-(1,3-thiazol-4-yl)acetyl]amino]methyl]benzoate
CID 42484012
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700
N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrrolidine-1-carboxamide
CID 60615827
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
1-cyclopentyl-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 60616655
3-methoxy-N-[3-(2-methoxyethoxy)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55878725
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
4-[[3-(phenoxymethyl)phenyl]sulfamoyl]benzoic acid
CID 154858217
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate (CID 52838954) is methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate?
The InChIKey is XGSUKXLSOIMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c1-24-18(21)13-5-7-17(8-6-13)27(22,23)20-14-3-2-4-16(9-14)25-10-15-11-26-12-19-15/h2-9,11-12,20H,10H2,1H3.
What are the key properties of methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate?
methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate has a molecular weight of 404.47 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 52838954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).