tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate

C15H24N2O5S — CID 86692717

IUPACtert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyULDQAZFJSXNRJO-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.02
Rot. Bonds7

About tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate

tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate (PubChem CID 86692717) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate
PubChem CID86692717
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Nametert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyULDQAZFJSXNRJO-UHFFFAOYSA-N
XLogP2.02
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate (CID 86692717) is tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate is CC(C)(C)OC(=O)NCCCCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate?
The InChIKey is ULDQAZFJSXNRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate?
tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate has a molecular weight of 344.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-sulfamoylphenoxy)butyl]carbamate is sourced from PubChem (CID 86692717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).