CID 87263567

C17H36NaO3S — CID 87263567

IUPAC—
SMILESCCCCCCCCCCCCCCCCCS(=O)(=O)O.[Na]
InChIInChI=1S/C17H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20;/h2-17H2,1H3,(H,18,19,20);
InChIKeyWGFWUQCNJAPENJ-UHFFFAOYSA-N
MW343.53 g/mol
LogP5.36
Rot. Bonds16

About CID 87263567

CID 87263567 (PubChem CID 87263567) has the molecular formula C17H36NaO3S and a molecular weight of 343.53 g/mol.

Molecular Properties

Compound NameCID 87263567
PubChem CID87263567
Molecular FormulaC17H36NaO3S
Molecular Weight343.53 g/mol
Exact Mass343.23
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCS(=O)(=O)O.[Na]
InChIInChI=1S/C17H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20;/h2-17H2,1H3,(H,18,19,20);
InChIKeyWGFWUQCNJAPENJ-UHFFFAOYSA-N
XLogP5.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

decane-1-sulfonic acid
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azane;octadecane-1-sulfonic acid
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magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
gold;pentane-1-sulfonic acid
CID 174800543
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
methanamine;pentane-1-sulfonic acid
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magnesium;hydride;pentane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of CID 87263567?
The IUPAC name of CID 87263567 (CID 87263567) is not available.
What is the SMILES notation for CID 87263567?
The canonical SMILES for CID 87263567 is CCCCCCCCCCCCCCCCCS(=O)(=O)O.[Na].
What is the InChIKey of CID 87263567?
The InChIKey is WGFWUQCNJAPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20;/h2-17H2,1H3,(H,18,19,20);.
What are the key properties of CID 87263567?
CID 87263567 has a molecular weight of 343.53 g/mol, XLogP of 5.36, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87263567 is sourced from PubChem (CID 87263567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).