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

C22H20FNO3S — CID 10000873

IUPAC4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
SMILESCCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C22H20FNO3S/c1-3-20-19-13-15(23)8-10-17(19)18-6-4-5-7-21(18)24(20)28(26,27)16-9-11-22(25)14(2)12-16/h4-13,20,25H,3H2,1-2H3
InChIKeyCOVYVGGWHCZZFR-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.17
Rot. Bonds3

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

4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol (PubChem CID 10000873) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol.

Molecular Properties

Compound Name4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
PubChem CID10000873
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol
SMILESCCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C22H20FNO3S/c1-3-20-19-13-15(23)8-10-17(19)18-6-4-5-7-21(18)24(20)28(26,27)16-9-11-22(25)14(2)12-16/h4-13,20,25H,3H2,1-2H3
InChIKeyCOVYVGGWHCZZFR-UHFFFAOYSA-N
XLogP5.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 11610210
4-(2-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenol
CID 43135503
N-(2,6-dimethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407585
N-(2-ethyl-6-methylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407586
N-ethyl-4-hydroxy-3-methyl-N-phenylbenzenesulfonamide
CID 44407724
4-hydroxy-3-methyl-N-propyl-N-o-tolylbenzenesulfonamide
CID 44407805
4-hydroxy-N-propyl-N-(2-(trifluoromethyl)phenyl)benzenesulfonamide
CID 44407812
N-biphenyl-2-yl-4-hydroxy-3-methyl-N-propyl-benzenesulfonamide
CID 44407826
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol
CID 28300454
4-fluoro-N-((2'-hydroxy-[1,1'-biphenyl]-2-yl)ethynyl)-N-(p-tolyl)benzenesulfonamide
CID 155982169
2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol
CID 71886440
3-[(8-fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
CID 9976353

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The IUPAC name of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol (CID 10000873) is 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol.
What is the SMILES notation for 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The canonical SMILES for 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol is CCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)c(C)c1.
What is the InChIKey of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
The InChIKey is COVYVGGWHCZZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-3-20-19-13-15(23)8-10-17(19)18-6-4-5-7-21(18)24(20)28(26,27)16-9-11-22(25)14(2)12-16/h4-13,20,25H,3H2,1-2H3.
What are the key properties of 4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol?
4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]-2-methylphenol has a molecular weight of 397.47 g/mol, XLogP of 5.17, 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]-2-methylphenol is sourced from PubChem (CID 10000873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).