ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate

C14H14ClN3O5S — CID 126508949

IUPACethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)[nH]1
InChIInChI=1S/C14H14ClN3O5S/c1-2-23-14(20)10-7-17-13(18-10)6-11(19)8-3-4-9(15)12(5-8)24(16,21)22/h3-5,7H,2,6H2,1H3,(H,17,18)(H2,16,21,22)
InChIKeyUPUVQMOWPMOJCU-UHFFFAOYSA-N
MW371.80 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate

ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate (PubChem CID 126508949) has the molecular formula C14H14ClN3O5S and a molecular weight of 371.80 g/mol. Its IUPAC name is ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
PubChem CID126508949
Molecular FormulaC14H14ClN3O5S
Molecular Weight371.80 g/mol
Exact Mass371.03
IUPAC Nameethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)[nH]1
InChIInChI=1S/C14H14ClN3O5S/c1-2-23-14(20)10-7-17-13(18-10)6-11(19)8-3-4-9(15)12(5-8)24(16,21)22/h3-5,7H,2,6H2,1H3,(H,17,18)(H2,16,21,22)
InChIKeyUPUVQMOWPMOJCU-UHFFFAOYSA-N
XLogP1.31
TPSA132.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 59052864
ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
CID 126508947
ethyl 3-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
CID 126509347
ethyl 2-sulfamoyl-1H-imidazole-5-carboxylate
CID 58344441
2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715
ethyl 5-[2-(4-chloro-3-sulfamoylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16537974
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
methyl 4-(4-chloro-3-sulfamoylphenyl)-4-oxobutanoate
CID 23329129
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 43014283

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate (CID 126508949) is ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1cnc(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)[nH]1.
What is the InChIKey of ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate?
The InChIKey is UPUVQMOWPMOJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S/c1-2-23-14(20)10-7-17-13(18-10)6-11(19)8-3-4-9(15)12(5-8)24(16,21)22/h3-5,7H,2,6H2,1H3,(H,17,18)(H2,16,21,22).
What are the key properties of ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate?
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate has a molecular weight of 371.80 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 126508949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).