ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate

C14H16N2O4S2 — CID 47044569

IUPACethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-3-20-14(17)11-4-6-13(7-5-11)22(18,19)15-8-12-9-21-10(2)16-12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyQGYFSGGBRIXHOA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.11
Rot. Bonds6

About ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate

ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate (PubChem CID 47044569) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
PubChem CID47044569
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Nameethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
InChIInChI=1S/C14H16N2O4S2/c1-3-20-14(17)11-4-6-13(7-5-11)22(18,19)15-8-12-9-21-10(2)16-12/h4-7,9,15H,3,8H2,1-2H3
InChIKeyQGYFSGGBRIXHOA-UHFFFAOYSA-N
XLogP2.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
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
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
(2-methyl-1,3-thiazol-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 2499484
ethyl 4-[[4-[(dimethylamino)methyl]phenyl]methylsulfamoyl]benzoate
CID 9191366
N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
CID 100814263
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzenesulfonamide
CID 82847743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate (CID 47044569) is ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCc2csc(C)n2)cc1.
What is the InChIKey of ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate?
The InChIKey is QGYFSGGBRIXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-3-20-14(17)11-4-6-13(7-5-11)22(18,19)15-8-12-9-21-10(2)16-12/h4-7,9,15H,3,8H2,1-2H3.
What are the key properties of ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate?
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate has a molecular weight of 340.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate is sourced from PubChem (CID 47044569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).