methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate

C14H15BrN2O5S2 — CID 100814263

IUPACmethyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O5S2/c1-9-17-10(8-23-9)6-16-24(19,20)11-3-4-13(12(15)5-11)22-7-14(18)21-2/h3-5,8,16H,6-7H2,1-2H3
InChIKeySUSFVSYJUBNWII-UHFFFAOYSA-N
MW435.32 g/mol
LogP2.24
Rot. Bonds7

About methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate

methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate (PubChem CID 100814263) has the molecular formula C14H15BrN2O5S2 and a molecular weight of 435.32 g/mol. Its IUPAC name is methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
PubChem CID100814263
Molecular FormulaC14H15BrN2O5S2
Molecular Weight435.32 g/mol
Exact Mass433.96
IUPAC Namemethyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O5S2/c1-9-17-10(8-23-9)6-16-24(19,20)11-3-4-13(12(15)5-11)22-7-14(18)21-2/h3-5,8,16H,6-7H2,1-2H3
InChIKeySUSFVSYJUBNWII-UHFFFAOYSA-N
XLogP2.24
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 55922717
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
N'-(3-bromo-4-methoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4816112
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
CID 61280702
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
methyl 2-[2-bromo-4-[2-(furan-2-yl)ethylsulfamoyl]phenoxy]acetate
CID 100814264
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 110717463

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate (CID 100814263) is methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1Br.
What is the InChIKey of methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate?
The InChIKey is SUSFVSYJUBNWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O5S2/c1-9-17-10(8-23-9)6-16-24(19,20)11-3-4-13(12(15)5-11)22-7-14(18)21-2/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate?
methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate has a molecular weight of 435.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate is sourced from PubChem (CID 100814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).