CID 155801541

C19H23NO2S — CID 155801541

IUPAC—
SMILESCc1ccc([S+](=O)([O-])NC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H23NO2S/c1-16-10-12-18(13-11-16)23(21,22)20-19(14-6-3-7-15-19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H-,20,21,22)
InChIKeyOIJHXQHSGMINIK-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.35
Rot. Bonds4

About CID 155801541

CID 155801541 (PubChem CID 155801541) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol.

Molecular Properties

Compound NameCID 155801541
PubChem CID155801541
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name—
SMILESCc1ccc([S+](=O)([O-])NC2(c3ccccc3)CCCCC2)cc1
InChIInChI=1S/C19H23NO2S/c1-16-10-12-18(13-11-16)23(21,22)20-19(14-6-3-7-15-19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H-,20,21,22)
InChIKeyOIJHXQHSGMINIK-UHFFFAOYSA-N
XLogP4.35
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155801541?
The IUPAC name of CID 155801541 (CID 155801541) is not available.
What is the SMILES notation for CID 155801541?
The canonical SMILES for CID 155801541 is Cc1ccc([S+](=O)([O-])NC2(c3ccccc3)CCCCC2)cc1.
What is the InChIKey of CID 155801541?
The InChIKey is OIJHXQHSGMINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-16-10-12-18(13-11-16)23(21,22)20-19(14-6-3-7-15-19)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H-,20,21,22).
What are the key properties of CID 155801541?
CID 155801541 has a molecular weight of 329.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155801541 is sourced from PubChem (CID 155801541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).