2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

C20H16FNO3S — CID 22482277

IUPAC2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C20H16FNO3S/c1-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)22(13)26(24,25)14-10-11-20(23)18(21)12-14/h2-13,23H,1H3
InChIKeyCLIQLUZZHXFOCQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.47
Rot. Bonds2

About 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 22482277) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID22482277
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C20H16FNO3S/c1-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)22(13)26(24,25)14-10-11-20(23)18(21)12-14/h2-13,23H,1H3
InChIKeyCLIQLUZZHXFOCQ-UHFFFAOYSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 22482277) is 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is CLIQLUZZHXFOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)22(13)26(24,25)14-10-11-20(23)18(21)12-14/h2-13,23H,1H3.
What are the key properties of 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 369.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 22482277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).