3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol

C20H15F2NO3S — CID 69354868

IUPAC3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
SMILESC[C@H]1c2cc(F)ccc2-c2ccc(F)cc2N1S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C20H15F2NO3S/c1-12-19-9-13(21)5-7-17(19)18-8-6-14(22)10-20(18)23(12)27(25,26)16-4-2-3-15(24)11-16/h2-12,24H,1H3/t12-/m0/s1
InChIKeyUTGNZCSSJVPIHM-LBPRGKRZSA-N
MW387.41 g/mol
LogP4.61
Rot. Bonds2

About 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol

3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol (PubChem CID 69354868) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol.

Molecular Properties

Compound Name3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
PubChem CID69354868
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
SMILESC[C@H]1c2cc(F)ccc2-c2ccc(F)cc2N1S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C20H15F2NO3S/c1-12-19-9-13(21)5-7-17(19)18-8-6-14(22)10-20(18)23(12)27(25,26)16-4-2-3-15(24)11-16/h2-12,24H,1H3/t12-/m0/s1
InChIKeyUTGNZCSSJVPIHM-LBPRGKRZSA-N
XLogP4.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]benzene-1,3-diol
CID 69354675
8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482265
4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 22482258
3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482344
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
[(6R)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11609669
4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 10366948
[(6S)-3-fluoro-6-methyl-6H-phenanthridin-5-yl]-(4-hydroxyphenyl)methanone
CID 11674380
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141299926
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenol
CID 114538277
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 3786582
1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534

Frequently Asked Questions

What is the IUPAC name of 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The IUPAC name of 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol (CID 69354868) is 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol.
What is the SMILES notation for 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The canonical SMILES for 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol is C[C@H]1c2cc(F)ccc2-c2ccc(F)cc2N1S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The InChIKey is UTGNZCSSJVPIHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c1-12-19-9-13(21)5-7-17(19)18-8-6-14(22)10-20(18)23(12)27(25,26)16-4-2-3-15(24)11-16/h2-12,24H,1H3/t12-/m0/s1.
What are the key properties of 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol has a molecular weight of 387.41 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol is sourced from PubChem (CID 69354868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).