4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol

C21H18FNO3S — CID 10430039

IUPAC4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C21H18FNO3S/c1-2-20-19-13-14(22)7-12-17(19)18-5-3-4-6-21(18)23(20)27(25,26)16-10-8-15(24)9-11-16/h3-13,20,24H,2H2,1H3
InChIKeyLRELUNXRSCPIIC-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.86
Rot. Bonds3

About 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol

4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 10430039) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID10430039
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C21H18FNO3S/c1-2-20-19-13-14(22)7-12-17(19)18-5-3-4-6-21(18)23(20)27(25,26)16-10-8-15(24)9-11-16/h3-13,20,24H,2H2,1H3
InChIKeyLRELUNXRSCPIIC-UHFFFAOYSA-N
XLogP4.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 10430039) is 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol is CCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is LRELUNXRSCPIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-2-20-19-13-14(22)7-12-17(19)18-5-3-4-6-21(18)23(20)27(25,26)16-10-8-15(24)9-11-16/h3-13,20,24H,2H2,1H3.
What are the key properties of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 383.44 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 10430039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).