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

C14H14ClN3O5S — CID 126508947

IUPACethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C14H14ClN3O5S/c1-2-23-14(20)11-6-18(8-17-11)7-12(19)9-3-4-10(15)13(5-9)24(16,21)22/h3-6,8H,2,7H2,1H3,(H2,16,21,22)
InChIKeyDEUQJMZNWZJCIM-UHFFFAOYSA-N
MW371.80 g/mol
LogP1.24
Rot. Bonds6

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

ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate (PubChem CID 126508947) has the molecular formula C14H14ClN3O5S and a molecular weight of 371.80 g/mol. Its IUPAC name is ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
PubChem CID126508947
Molecular FormulaC14H14ClN3O5S
Molecular Weight371.80 g/mol
Exact Mass371.03
IUPAC Nameethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C14H14ClN3O5S/c1-2-23-14(20)11-6-18(8-17-11)7-12(19)9-3-4-10(15)13(5-9)24(16,21)22/h3-6,8H,2,7H2,1H3,(H2,16,21,22)
InChIKeyDEUQJMZNWZJCIM-UHFFFAOYSA-N
XLogP1.24
TPSA121.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate
CID 126509347
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
CID 126508949
ethyl 2-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 59052864
methyl 4-(4-chloro-3-sulfamoylphenyl)-4-oxobutanoate
CID 23329129
2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
diethyl 5-amino-3-[(4-chloro-3-sulfamoylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 16569614
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
CID 58107394
ethyl 1-(4-methoxycarbonylphenyl)imidazole-4-carboxylate
CID 11953753
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate (CID 126508947) is ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate is CCOC(=O)c1cn(CC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cn1.
What is the InChIKey of ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate?
The InChIKey is DEUQJMZNWZJCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5S/c1-2-23-14(20)11-6-18(8-17-11)7-12(19)9-3-4-10(15)13(5-9)24(16,21)22/h3-6,8H,2,7H2,1H3,(H2,16,21,22).
What are the key properties of ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate?
ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate has a molecular weight of 371.80 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]imidazole-4-carboxylate is sourced from PubChem (CID 126508947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).