2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate

C16H25NO4S — CID 11782389

IUPAC2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20)
InChIKeyDGEXBAXGFOOECG-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.64
Rot. Bonds9

About 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate

2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate (PubChem CID 11782389) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate.

Molecular Properties

Compound Name2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate
PubChem CID11782389
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate
SMILESCCCC(CCC)C(=O)OCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20)
InChIKeyDGEXBAXGFOOECG-UHFFFAOYSA-N
XLogP2.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate?
The IUPAC name of 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate (CID 11782389) is 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate.
What is the SMILES notation for 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate?
The canonical SMILES for 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate is CCCC(CCC)C(=O)OCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate?
The InChIKey is DGEXBAXGFOOECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-3-5-14(6-4-2)16(18)21-12-11-13-7-9-15(10-8-13)22(17,19)20/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate?
2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate has a molecular weight of 327.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenyl)ethyl 2-propylpentanoate is sourced from PubChem (CID 11782389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).