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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).