ethyl 4-chloro-3-sulfamoylbenzoate

C9H10ClNO4S — CID 15938945

IUPACethyl 4-chloro-3-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)6-3-4-7(10)8(5-6)16(11,13)14/h3-5H,2H2,1H3,(H2,11,13,14)
InChIKeyKTUHQENNAFLKDE-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.16
Rot. Bonds3

About ethyl 4-chloro-3-sulfamoylbenzoate

ethyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 15938945) has the molecular formula C9H10ClNO4S and a molecular weight of 263.70 g/mol. Its IUPAC name is ethyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Nameethyl 4-chloro-3-sulfamoylbenzoate
PubChem CID15938945
Molecular FormulaC9H10ClNO4S
Molecular Weight263.70 g/mol
Exact Mass263.00
IUPAC Nameethyl 4-chloro-3-sulfamoylbenzoate
SMILESCCOC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10ClNO4S/c1-2-15-9(12)6-3-4-7(10)8(5-6)16(11,13)14/h3-5H,2H2,1H3,(H2,11,13,14)
InChIKeyKTUHQENNAFLKDE-UHFFFAOYSA-N
XLogP1.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715
diethyl 5-amino-3-[(4-chloro-3-sulfamoylbenzoyl)oxymethyl]thiophene-2,4-dicarboxylate
CID 16569614
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
(3-methyl-1,2-oxazol-5-yl)methyl 4-chloro-3-sulfamoylbenzoate
CID 32709670
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 27011600
(4-methylsulfanylphenyl)methyl 4-chloro-3-sulfamoylbenzoate
CID 2682456
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-[2-(4-chloro-3-sulfamoylphenyl)-2-oxoethyl]-1H-imidazole-5-carboxylate
CID 126508949
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568901
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615177
[2-(2,6-diethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615233

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of ethyl 4-chloro-3-sulfamoylbenzoate (CID 15938945) is ethyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for ethyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for ethyl 4-chloro-3-sulfamoylbenzoate is CCOC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of ethyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is KTUHQENNAFLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S/c1-2-15-9(12)6-3-4-7(10)8(5-6)16(11,13)14/h3-5H,2H2,1H3,(H2,11,13,14).
What are the key properties of ethyl 4-chloro-3-sulfamoylbenzoate?
ethyl 4-chloro-3-sulfamoylbenzoate has a molecular weight of 263.70 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 15938945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).