4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid

C12H17NO5S — CID 28513919

IUPAC4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-9-5-6-11(18-2)10(8-9)13-19(16,17)7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBEAZAARFAZSQTN-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.61
Rot. Bonds7

About 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid

4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid (PubChem CID 28513919) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
PubChem CID28513919
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H17NO5S/c1-9-5-6-11(18-2)10(8-9)13-19(16,17)7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBEAZAARFAZSQTN-UHFFFAOYSA-N
XLogP1.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
2-[(2-methoxy-5-methylphenyl)sulfamoyl-methylamino]acetic acid
CID 84760847
methyl 4-[(2-fluoro-5-methylphenyl)sulfamoyl]butanoate
CID 61460150
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
4-[(5-chloro-2-ethoxyphenyl)sulfamoyl]butanoic acid
CID 60933027
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
3-[(2-bromo-5-methylphenyl)sulfamoyl]propanoic acid
CID 82760976
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
3-[(3-amino-3-oxopropyl)sulfonylamino]-4-methoxybenzoic acid
CID 89455462
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid (CID 28513919) is 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid is COc1ccc(C)cc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid?
The InChIKey is BEAZAARFAZSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9-5-6-11(18-2)10(8-9)13-19(16,17)7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid?
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid has a molecular weight of 287.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).