methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate

C13H18ClNO5S — CID 61460341

IUPACmethyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H18ClNO5S/c1-3-20-12-7-6-10(14)9-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyBOFXFUYBMKEFNJ-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.43
Rot. Bonds8

About methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate

methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate (PubChem CID 61460341) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
PubChem CID61460341
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Namemethyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)OC
InChIInChI=1S/C13H18ClNO5S/c1-3-20-12-7-6-10(14)9-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyBOFXFUYBMKEFNJ-UHFFFAOYSA-N
XLogP2.43
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
CID 60933027
methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
CID 61460299
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
ethyl 3-[(4-chloro-2-iodophenyl)sulfamoyl]propanoate
CID 103764005
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
methyl 4-[(4-bromo-2,6-dichlorophenyl)sulfamoyl]butanoate
CID 61460321

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate (CID 61460341) is methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate is CCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate?
The InChIKey is BOFXFUYBMKEFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-3-20-12-7-6-10(14)9-11(12)15-21(17,18)8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate?
methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate has a molecular weight of 335.81 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate is sourced from PubChem (CID 61460341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).