ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate

C16H16ClNO6S — CID 150284750

IUPACethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(O)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO6S/c1-3-24-16(20)12-9-11(5-6-13(12)17)25(21,22)18-10-4-7-15(23-2)14(19)8-10/h4-9,18-19H,3H2,1-2H3
InChIKeyGGILBEIRDKDPJY-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.03
Rot. Bonds6

About ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate

ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 150284750) has the molecular formula C16H16ClNO6S and a molecular weight of 385.83 g/mol. Its IUPAC name is ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID150284750
Molecular FormulaC16H16ClNO6S
Molecular Weight385.83 g/mol
Exact Mass385.04
IUPAC Nameethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(O)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO6S/c1-3-24-16(20)12-9-11(5-6-13(12)17)25(21,22)18-10-4-7-15(23-2)14(19)8-10/h4-9,18-19H,3H2,1-2H3
InChIKeyGGILBEIRDKDPJY-UHFFFAOYSA-N
XLogP3.03
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
ethyl 2-chloro-4-[[3-(2,5-dioxopyrrolidin-1-yl)-4-methoxyphenyl]sulfonylamino]benzoate
CID 100672822
ethyl 5-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-2-(trifluoromethoxy)benzoate
CID 151740078
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
N-(3-hydroxy-4-methoxyphenyl)-4-propan-2-ylbenzenesulfonamide
CID 8518583
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
5-[(4-ethoxycarbonylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 25037422
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
ethyl 2-chloro-5-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonylamino]benzoate
CID 100737251
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate (CID 150284750) is ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate is CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(O)c2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is GGILBEIRDKDPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO6S/c1-3-24-16(20)12-9-11(5-6-13(12)17)25(21,22)18-10-4-7-15(23-2)14(19)8-10/h4-9,18-19H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate?
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 385.83 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 150284750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).