4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol

C20H16FNO3S — CID 10474237

IUPAC4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
SMILESC[C@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H16FNO3S/c1-13-19-12-14(21)6-11-17(19)18-4-2-3-5-20(18)22(13)26(24,25)16-9-7-15(23)8-10-16/h2-13,23H,1H3/t13-/m0/s1
InChIKeyMSEVFPXWPCJCHX-ZDUSSCGKSA-N
MW369.42 g/mol
LogP4.47
Rot. Bonds2

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

4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol (PubChem CID 10474237) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol.

Molecular Properties

Compound Name4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
PubChem CID10474237
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
SMILESC[C@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H16FNO3S/c1-13-19-12-14(21)6-11-17(19)18-4-2-3-5-20(18)22(13)26(24,25)16-9-7-15(23)8-10-16/h2-13,23H,1H3/t13-/m0/s1
InChIKeyMSEVFPXWPCJCHX-ZDUSSCGKSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The IUPAC name of 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol (CID 10474237) is 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol.
What is the SMILES notation for 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The canonical SMILES for 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol is C[C@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
The InChIKey is MSEVFPXWPCJCHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-13-19-12-14(21)6-11-17(19)18-4-2-3-5-20(18)22(13)26(24,25)16-9-7-15(23)8-10-16/h2-13,23H,1H3/t13-/m0/s1.
What are the key properties of 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol?
4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol has a molecular weight of 369.42 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-8-fluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol is sourced from PubChem (CID 10474237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).