(4-phenoxyphenyl) sulfamate

C12H11NO4S — CID 11032771

IUPAC(4-phenoxyphenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H11NO4S/c13-18(14,15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyYDQXRZYWJFOWEX-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.06
Rot. Bonds4

About (4-phenoxyphenyl) sulfamate

(4-phenoxyphenyl) sulfamate (PubChem CID 11032771) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is (4-phenoxyphenyl) sulfamate.

Molecular Properties

Compound Name(4-phenoxyphenyl) sulfamate
PubChem CID11032771
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name(4-phenoxyphenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H11NO4S/c13-18(14,15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyYDQXRZYWJFOWEX-UHFFFAOYSA-N
XLogP2.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) sulfamate?
The IUPAC name of (4-phenoxyphenyl) sulfamate (CID 11032771) is (4-phenoxyphenyl) sulfamate.
What is the SMILES notation for (4-phenoxyphenyl) sulfamate?
The canonical SMILES for (4-phenoxyphenyl) sulfamate is NS(=O)(=O)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (4-phenoxyphenyl) sulfamate?
The InChIKey is YDQXRZYWJFOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c13-18(14,15)17-12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15).
What are the key properties of (4-phenoxyphenyl) sulfamate?
(4-phenoxyphenyl) sulfamate has a molecular weight of 265.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) sulfamate is sourced from PubChem (CID 11032771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).