(4-acetylphenyl) sulfamate

C8H9NO4S — CID 10198275

IUPAC(4-acetylphenyl) sulfamate
SMILESCC(=O)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO4S/c1-6(10)7-2-4-8(5-3-7)13-14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyNNULMIASCQGDTR-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.47
Rot. Bonds3

About (4-acetylphenyl) sulfamate

(4-acetylphenyl) sulfamate (PubChem CID 10198275) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is (4-acetylphenyl) sulfamate.

Molecular Properties

Compound Name(4-acetylphenyl) sulfamate
PubChem CID10198275
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name(4-acetylphenyl) sulfamate
SMILESCC(=O)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C8H9NO4S/c1-6(10)7-2-4-8(5-3-7)13-14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyNNULMIASCQGDTR-UHFFFAOYSA-N
XLogP0.47
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) sulfamate?
The IUPAC name of (4-acetylphenyl) sulfamate (CID 10198275) is (4-acetylphenyl) sulfamate.
What is the SMILES notation for (4-acetylphenyl) sulfamate?
The canonical SMILES for (4-acetylphenyl) sulfamate is CC(=O)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of (4-acetylphenyl) sulfamate?
The InChIKey is NNULMIASCQGDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-6(10)7-2-4-8(5-3-7)13-14(9,11)12/h2-5H,1H3,(H2,9,11,12).
What are the key properties of (4-acetylphenyl) sulfamate?
(4-acetylphenyl) sulfamate has a molecular weight of 215.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) sulfamate is sourced from PubChem (CID 10198275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).