4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid

C12H17NO5S — CID 28513568

IUPAC4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
SMILESCOc1ccc(CNS(=O)(=O)CCCC(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-18-11-6-4-10(5-7-11)9-13-19(16,17)8-2-3-12(14)15/h4-7,13H,2-3,8-9H2,1H3,(H,14,15)
InChIKeySMHALGJDKNWYOI-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.98
Rot. Bonds8

About 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid

4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid (PubChem CID 28513568) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
PubChem CID28513568
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid
SMILESCOc1ccc(CNS(=O)(=O)CCCC(=O)O)cc1
InChIInChI=1S/C12H17NO5S/c1-18-11-6-4-10(5-7-11)9-13-19(16,17)8-2-3-12(14)15/h4-7,13H,2-3,8-9H2,1H3,(H,14,15)
InChIKeySMHALGJDKNWYOI-UHFFFAOYSA-N
XLogP0.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518
N-[(4-methoxyphenyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106058733
methyl 4-[(4-bromophenyl)methylsulfamoyl]butanoate
CID 61457335
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
4-[(3-methoxypropylsulfonylamino)methyl]benzoic acid
CID 63289850
4-[(5-ethylthiophen-2-yl)methylsulfamoyl]butanoic acid
CID 106003812
4-[(3-aminophenyl)methylsulfamoyl]butanoic acid
CID 54951855
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
1-[2-(benzylsulfamoyl)ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111182165
4-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid (CID 28513568) is 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid is COc1ccc(CNS(=O)(=O)CCCC(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid?
The InChIKey is SMHALGJDKNWYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-18-11-6-4-10(5-7-11)9-13-19(16,17)8-2-3-12(14)15/h4-7,13H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid?
4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 28513568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).