4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol

C21H18FNO3S — CID 10317801

IUPAC4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
SMILESCc1cc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)ccc1O
InChIInChI=1S/C21H18FNO3S/c1-13-11-16(8-10-21(13)24)27(25,26)23-14(2)19-12-15(22)7-9-17(19)18-5-3-4-6-20(18)23/h3-12,14,24H,1-2H3
InChIKeyPWYHCFBOBRCJNW-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.78
Rot. Bonds2

About 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol

4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol (PubChem CID 10317801) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
PubChem CID10317801
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
SMILESCc1cc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)ccc1O
InChIInChI=1S/C21H18FNO3S/c1-13-11-16(8-10-21(13)24)27(25,26)23-14(2)19-12-15(22)7-9-17(19)18-5-3-4-6-20(18)23/h3-12,14,24H,1-2H3
InChIKeyPWYHCFBOBRCJNW-UHFFFAOYSA-N
XLogP4.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The IUPAC name of 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol (CID 10317801) is 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol.
What is the SMILES notation for 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The canonical SMILES for 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol is Cc1cc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)ccc1O.
What is the InChIKey of 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The InChIKey is PWYHCFBOBRCJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-13-11-16(8-10-21(13)24)27(25,26)23-14(2)19-12-15(22)7-9-17(19)18-5-3-4-6-20(18)23/h3-12,14,24H,1-2H3.
What are the key properties of 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol has a molecular weight of 383.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol is sourced from PubChem (CID 10317801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).