4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid

C12H16ClNO5S — CID 60933027

IUPAC4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H16ClNO5S/c1-2-19-11-6-5-9(13)8-10(11)14-20(17,18)7-3-4-12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)
InChIKeyXUDAXEYWVASOKP-UHFFFAOYSA-N
MW321.78 g/mol
LogP2.35
Rot. Bonds8

About 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid

4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid (PubChem CID 60933027) has the molecular formula C12H16ClNO5S and a molecular weight of 321.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
PubChem CID60933027
Molecular FormulaC12H16ClNO5S
Molecular Weight321.78 g/mol
Exact Mass321.04
IUPAC Name4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H16ClNO5S/c1-2-19-11-6-5-9(13)8-10(11)14-20(17,18)7-3-4-12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)
InChIKeyXUDAXEYWVASOKP-UHFFFAOYSA-N
XLogP2.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoate
CID 61460341
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
CID 63308071
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
methyl 4-[(2-ethoxy-4-fluorophenyl)sulfamoyl]butanoate
CID 61460299
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid (CID 60933027) is 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid is CCOc1ccc(Cl)cc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid?
The InChIKey is XUDAXEYWVASOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S/c1-2-19-11-6-5-9(13)8-10(11)14-20(17,18)7-3-4-12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid?
4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid has a molecular weight of 321.78 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 60933027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).