16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide

C19H10FNO2S — CID 165170284

IUPAC16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide
SMILESO=S1(=O)c2ccccc2-c2nccc3c2c1cc1ccc(F)cc13
InChIInChI=1S/C19H10FNO2S/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)24(17,22)23/h1-10H
InChIKeyMDIKDOYVXLVNIQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.34
Rot. Bonds

About 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide

16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide (PubChem CID 165170284) has the molecular formula C19H10FNO2S and a molecular weight of 335.36 g/mol. Its IUPAC name is 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide.

Molecular Properties

Compound Name16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide
PubChem CID165170284
Molecular FormulaC19H10FNO2S
Molecular Weight335.36 g/mol
Exact Mass335.04
IUPAC Name16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide
SMILESO=S1(=O)c2ccccc2-c2nccc3c2c1cc1ccc(F)cc13
InChIInChI=1S/C19H10FNO2S/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)24(17,22)23/h1-10H
InChIKeyMDIKDOYVXLVNIQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide?
The IUPAC name of 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide (CID 165170284) is 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide.
What is the SMILES notation for 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide?
The canonical SMILES for 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide is O=S1(=O)c2ccccc2-c2nccc3c2c1cc1ccc(F)cc13.
What is the InChIKey of 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide?
The InChIKey is MDIKDOYVXLVNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNO2S/c20-12-6-5-11-9-17-18-13(15(11)10-12)7-8-21-19(18)14-3-1-2-4-16(14)24(17,22)23/h1-10H.
What are the key properties of 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide?
16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide has a molecular weight of 335.36 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-fluoro-2λ6-thia-10-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene 2,2-dioxide is sourced from PubChem (CID 165170284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).