tert-butyl N-(4-sulfamoylphenyl)carbamate

C11H16N2O4S — CID 11369299

IUPACtert-butyl N-(4-sulfamoylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeySLPOZMCASPGKIQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.68
Rot. Bonds2

About tert-butyl N-(4-sulfamoylphenyl)carbamate

tert-butyl N-(4-sulfamoylphenyl)carbamate (PubChem CID 11369299) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is tert-butyl N-(4-sulfamoylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-sulfamoylphenyl)carbamate
PubChem CID11369299
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nametert-butyl N-(4-sulfamoylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)
InChIKeySLPOZMCASPGKIQ-UHFFFAOYSA-N
XLogP1.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-sulfamoylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-sulfamoylphenyl)carbamate (CID 11369299) is tert-butyl N-(4-sulfamoylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-sulfamoylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-sulfamoylphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of tert-butyl N-(4-sulfamoylphenyl)carbamate?
The InChIKey is SLPOZMCASPGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(14)13-8-4-6-9(7-5-8)18(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16).
What are the key properties of tert-butyl N-(4-sulfamoylphenyl)carbamate?
tert-butyl N-(4-sulfamoylphenyl)carbamate has a molecular weight of 272.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-sulfamoylphenyl)carbamate is sourced from PubChem (CID 11369299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).