(2-hydroxyphenyl) N-ethylsulfamate

C8H11NO4S — CID 59550902

IUPAC(2-hydroxyphenyl) N-ethylsulfamate
SMILESCCNS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C8H11NO4S/c1-2-9-14(11,12)13-8-6-4-3-5-7(8)10/h3-6,9-10H,2H2,1H3
InChIKeyPLSKIBLRKVSHIS-UHFFFAOYSA-N
MW217.25 g/mol
LogP0.63
Rot. Bonds4

About (2-hydroxyphenyl) N-ethylsulfamate

(2-hydroxyphenyl) N-ethylsulfamate (PubChem CID 59550902) has the molecular formula C8H11NO4S and a molecular weight of 217.25 g/mol. Its IUPAC name is (2-hydroxyphenyl) N-ethylsulfamate.

Molecular Properties

Compound Name(2-hydroxyphenyl) N-ethylsulfamate
PubChem CID59550902
Molecular FormulaC8H11NO4S
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Name(2-hydroxyphenyl) N-ethylsulfamate
SMILESCCNS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C8H11NO4S/c1-2-9-14(11,12)13-8-6-4-3-5-7(8)10/h3-6,9-10H,2H2,1H3
InChIKeyPLSKIBLRKVSHIS-UHFFFAOYSA-N
XLogP0.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) N-ethylsulfamate?
The IUPAC name of (2-hydroxyphenyl) N-ethylsulfamate (CID 59550902) is (2-hydroxyphenyl) N-ethylsulfamate.
What is the SMILES notation for (2-hydroxyphenyl) N-ethylsulfamate?
The canonical SMILES for (2-hydroxyphenyl) N-ethylsulfamate is CCNS(=O)(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) N-ethylsulfamate?
The InChIKey is PLSKIBLRKVSHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S/c1-2-9-14(11,12)13-8-6-4-3-5-7(8)10/h3-6,9-10H,2H2,1H3.
What are the key properties of (2-hydroxyphenyl) N-ethylsulfamate?
(2-hydroxyphenyl) N-ethylsulfamate has a molecular weight of 217.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) N-ethylsulfamate is sourced from PubChem (CID 59550902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).