8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine

C21H18FNO3S — CID 22482265

IUPAC8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
SMILESCOc1cccc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)c1
InChIInChI=1S/C21H18FNO3S/c1-14-20-12-15(22)10-11-18(20)19-8-3-4-9-21(19)23(14)27(24,25)17-7-5-6-16(13-17)26-2/h3-14H,1-2H3
InChIKeyUGXVFVTYUGDYDF-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.77
Rot. Bonds3

About 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine

8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine (PubChem CID 22482265) has the molecular formula C21H18FNO3S and a molecular weight of 383.44 g/mol. Its IUPAC name is 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine.

Molecular Properties

Compound Name8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
PubChem CID22482265
Molecular FormulaC21H18FNO3S
Molecular Weight383.44 g/mol
Exact Mass383.10
IUPAC Name8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
SMILESCOc1cccc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)c1
InChIInChI=1S/C21H18FNO3S/c1-14-20-12-15(22)10-11-18(20)19-8-3-4-9-21(19)23(14)27(24,25)17-7-5-6-16(13-17)26-2/h3-14H,1-2H3
InChIKeyUGXVFVTYUGDYDF-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
CID 69354868
3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482344
[4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate
CID 22482317
4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 22482258
N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
CID 22482284
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone
CID 68815094
(6S)-6-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
CID 20782184
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141299926
imino-(3-methoxyphenyl)-methyl-oxo-λ6-sulfane
CID 102433412
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(3-fluoro-4-hydroxyphenyl)-[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]methanone
CID 11688888

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The IUPAC name of 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine (CID 22482265) is 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine.
What is the SMILES notation for 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The canonical SMILES for 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine is COc1cccc(S(=O)(=O)N2c3ccccc3-c3ccc(F)cc3C2C)c1.
What is the InChIKey of 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
The InChIKey is UGXVFVTYUGDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3S/c1-14-20-12-15(22)10-11-18(20)19-8-3-4-9-21(19)23(14)27(24,25)17-7-5-6-16(13-17)26-2/h3-14H,1-2H3.
What are the key properties of 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine?
8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine has a molecular weight of 383.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine is sourced from PubChem (CID 22482265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).