(2-nonylphenoxy)sulfamic acid

C15H25NO4S — CID 138544155

IUPAC(2-nonylphenoxy)sulfamic acid
SMILESCCCCCCCCCc1ccccc1ONS(=O)(=O)O
InChIInChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)20-16-21(17,18)19/h9-10,12-13,16H,2-8,11H2,1H3,(H,17,18,19)
InChIKeyXLTOPYNVYIZWML-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.67
Rot. Bonds11

About (2-nonylphenoxy)sulfamic acid

(2-nonylphenoxy)sulfamic acid (PubChem CID 138544155) has the molecular formula C15H25NO4S and a molecular weight of 315.43 g/mol. Its IUPAC name is (2-nonylphenoxy)sulfamic acid.

Molecular Properties

Compound Name(2-nonylphenoxy)sulfamic acid
PubChem CID138544155
Molecular FormulaC15H25NO4S
Molecular Weight315.43 g/mol
Exact Mass315.15
IUPAC Name(2-nonylphenoxy)sulfamic acid
SMILESCCCCCCCCCc1ccccc1ONS(=O)(=O)O
InChIInChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)20-16-21(17,18)19/h9-10,12-13,16H,2-8,11H2,1H3,(H,17,18,19)
InChIKeyXLTOPYNVYIZWML-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;1-nonyl-2-(2-nonylphenoxy)benzene;sulfuric acid
CID 172996794
copper;(2-nonylphenyl) hydrogen sulfate
CID 70922107
sodium;1-nonyl-2-(2-nonylphenoxy)benzene;sulfate
CID 5463920
2-(2-dodecylphenoxy)benzene-1,3-disulfonic acid
CID 101303574
2-(2-dodecylphenoxy)-6-hydroxybenzenesulfonic acid
CID 101296002
1-methoxy-2-tetradecylbenzene
CID 69169530
(2-octadecylphenyl) iodomethanesulfonate
CID 174582605
lithium 2-dodecylbenzenesulfonic acid
CID 22564411
2-docosylbenzenesulfonic acid
CID 14818387
2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 172695363
hydroxy-(2-nonylphenoxy)-oxosilane
CID 67915956
hydroxy-(2-octylphenoxy)-oxophosphanium
CID 67546682

Frequently Asked Questions

What is the IUPAC name of (2-nonylphenoxy)sulfamic acid?
The IUPAC name of (2-nonylphenoxy)sulfamic acid (CID 138544155) is (2-nonylphenoxy)sulfamic acid.
What is the SMILES notation for (2-nonylphenoxy)sulfamic acid?
The canonical SMILES for (2-nonylphenoxy)sulfamic acid is CCCCCCCCCc1ccccc1ONS(=O)(=O)O.
What is the InChIKey of (2-nonylphenoxy)sulfamic acid?
The InChIKey is XLTOPYNVYIZWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)20-16-21(17,18)19/h9-10,12-13,16H,2-8,11H2,1H3,(H,17,18,19).
What are the key properties of (2-nonylphenoxy)sulfamic acid?
(2-nonylphenoxy)sulfamic acid has a molecular weight of 315.43 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonylphenoxy)sulfamic acid is sourced from PubChem (CID 138544155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).