(2-hydroxyphenyl) N-pentylsulfamate

C11H17NO4S — CID 21048640

IUPAC(2-hydroxyphenyl) N-pentylsulfamate
SMILESCCCCCNS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C11H17NO4S/c1-2-3-6-9-12-17(14,15)16-11-8-5-4-7-10(11)13/h4-5,7-8,12-13H,2-3,6,9H2,1H3
InChIKeyQVNCVWXSPVAGSO-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.80
Rot. Bonds7

About (2-hydroxyphenyl) N-pentylsulfamate

(2-hydroxyphenyl) N-pentylsulfamate (PubChem CID 21048640) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is (2-hydroxyphenyl) N-pentylsulfamate.

Molecular Properties

Compound Name(2-hydroxyphenyl) N-pentylsulfamate
PubChem CID21048640
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name(2-hydroxyphenyl) N-pentylsulfamate
SMILESCCCCCNS(=O)(=O)Oc1ccccc1O
InChIInChI=1S/C11H17NO4S/c1-2-3-6-9-12-17(14,15)16-11-8-5-4-7-10(11)13/h4-5,7-8,12-13H,2-3,6,9H2,1H3
InChIKeyQVNCVWXSPVAGSO-UHFFFAOYSA-N
XLogP1.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) N-pentylsulfamate?
The IUPAC name of (2-hydroxyphenyl) N-pentylsulfamate (CID 21048640) is (2-hydroxyphenyl) N-pentylsulfamate.
What is the SMILES notation for (2-hydroxyphenyl) N-pentylsulfamate?
The canonical SMILES for (2-hydroxyphenyl) N-pentylsulfamate is CCCCCNS(=O)(=O)Oc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl) N-pentylsulfamate?
The InChIKey is QVNCVWXSPVAGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-2-3-6-9-12-17(14,15)16-11-8-5-4-7-10(11)13/h4-5,7-8,12-13H,2-3,6,9H2,1H3.
What are the key properties of (2-hydroxyphenyl) N-pentylsulfamate?
(2-hydroxyphenyl) N-pentylsulfamate has a molecular weight of 259.33 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) N-pentylsulfamate is sourced from PubChem (CID 21048640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).