(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C17H16BrNO4S — CID 55508510

IUPAC(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OCc1ccccc1Br)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H16BrNO4S/c18-16-8-2-1-5-14(16)12-23-17(20)13-6-3-7-15(11-13)19-9-4-10-24(19,21)22/h1-3,5-8,11H,4,9-10,12H2
InChIKeyXUUDPWRUXOTVAI-UHFFFAOYSA-N
MW410.29 g/mol
LogP3.35
Rot. Bonds4

About (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 55508510) has the molecular formula C17H16BrNO4S and a molecular weight of 410.29 g/mol. Its IUPAC name is (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID55508510
Molecular FormulaC17H16BrNO4S
Molecular Weight410.29 g/mol
Exact Mass409.00
IUPAC Name(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OCc1ccccc1Br)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C17H16BrNO4S/c18-16-8-2-1-5-14(16)12-23-17(20)13-6-3-7-15(11-13)19-9-4-10-24(19,21)22/h1-3,5-8,11H,4,9-10,12H2
InChIKeyXUUDPWRUXOTVAI-UHFFFAOYSA-N
XLogP3.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2-fluorophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695668
[2-(methylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695746
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
(1-amino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695655
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55552944
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508802
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55486036
methyl 2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzoate
CID 18134729
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55509051
(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46696009
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508863

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 55508510) is (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is O=C(OCc1ccccc1Br)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is XUUDPWRUXOTVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO4S/c18-16-8-2-1-5-14(16)12-23-17(20)13-6-3-7-15(11-13)19-9-4-10-24(19,21)22/h1-3,5-8,11H,4,9-10,12H2.
What are the key properties of (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 410.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 55508510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).