(4-sulfamoylphenyl)methyl 4-aminobutanoate

C11H16N2O4S — CID 10492408

IUPAC(4-sulfamoylphenyl)methyl 4-aminobutanoate
SMILESNCCCC(=O)OCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)
InChIKeyALSIWBCPYRNTNU-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.12
Rot. Bonds6

About (4-sulfamoylphenyl)methyl 4-aminobutanoate

(4-sulfamoylphenyl)methyl 4-aminobutanoate (PubChem CID 10492408) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4-sulfamoylphenyl)methyl 4-aminobutanoate.

Molecular Properties

Compound Name(4-sulfamoylphenyl)methyl 4-aminobutanoate
PubChem CID10492408
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(4-sulfamoylphenyl)methyl 4-aminobutanoate
SMILESNCCCC(=O)OCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)
InChIKeyALSIWBCPYRNTNU-UHFFFAOYSA-N
XLogP0.12
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylphenyl)methyl 4-aminobutanoate?
The IUPAC name of (4-sulfamoylphenyl)methyl 4-aminobutanoate (CID 10492408) is (4-sulfamoylphenyl)methyl 4-aminobutanoate.
What is the SMILES notation for (4-sulfamoylphenyl)methyl 4-aminobutanoate?
The canonical SMILES for (4-sulfamoylphenyl)methyl 4-aminobutanoate is NCCCC(=O)OCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (4-sulfamoylphenyl)methyl 4-aminobutanoate?
The InChIKey is ALSIWBCPYRNTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16).
What are the key properties of (4-sulfamoylphenyl)methyl 4-aminobutanoate?
(4-sulfamoylphenyl)methyl 4-aminobutanoate has a molecular weight of 272.33 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylphenyl)methyl 4-aminobutanoate is sourced from PubChem (CID 10492408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).