(4-phenylphenyl)methyl sulfamate

C13H13NO3S — CID 11196316

IUPAC(4-phenylphenyl)methyl sulfamate
SMILESNS(=O)(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13NO3S/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H2,14,15,16)
InChIKeyJSGQIOKOWMFNES-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds4

About (4-phenylphenyl)methyl sulfamate

(4-phenylphenyl)methyl sulfamate (PubChem CID 11196316) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (4-phenylphenyl)methyl sulfamate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl sulfamate
PubChem CID11196316
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(4-phenylphenyl)methyl sulfamate
SMILESNS(=O)(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13NO3S/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H2,14,15,16)
InChIKeyJSGQIOKOWMFNES-UHFFFAOYSA-N
XLogP2.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl sulfamate?
The IUPAC name of (4-phenylphenyl)methyl sulfamate (CID 11196316) is (4-phenylphenyl)methyl sulfamate.
What is the SMILES notation for (4-phenylphenyl)methyl sulfamate?
The canonical SMILES for (4-phenylphenyl)methyl sulfamate is NS(=O)(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl sulfamate?
The InChIKey is JSGQIOKOWMFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c14-18(15,16)17-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H2,14,15,16).
What are the key properties of (4-phenylphenyl)methyl sulfamate?
(4-phenylphenyl)methyl sulfamate has a molecular weight of 263.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl sulfamate is sourced from PubChem (CID 11196316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).