4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

C20H15F2NO3S — CID 22482258

IUPAC4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3
InChIKeyWNNPOSMDHAKTRQ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.61
Rot. Bonds2

About 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 22482258) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID22482258
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3
InChIKeyWNNPOSMDHAKTRQ-UHFFFAOYSA-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

3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482344
3-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]phenol
CID 69354868
4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 10366948
4-[[(6S)-3,8-difluoro-6-methyl-6H-phenanthridin-5-yl]sulfonyl]benzene-1,3-diol
CID 69354675
(4R)-8-fluoro-4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 141299926
8-fluoro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482265
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
3-(dimethylaminomethylidene)-6-fluoro-1-(4-fluorophenyl)sulfonyl-2-methyl-2H-quinolin-4-one;9-fluoro-6-(4-fluorophenyl)sulfonyl-5-methyl-5H-pyrimido[5,4-c]quinolin-2-amine;methane
CID 162064785
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
(9R,10R)-3,6-difluoro-9,10-dihydrophenanthrene-9,10-diol
CID 23635452
4-[(8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 143169621

Frequently Asked Questions

What is the IUPAC name of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 22482258) is 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CC1c2ccc(F)cc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is WNNPOSMDHAKTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c1-12-17-8-2-13(21)10-18(17)19-11-14(22)3-9-20(19)23(12)27(25,26)16-6-4-15(24)5-7-16/h2-12,24H,1H3.
What are the key properties of 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(2,9-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 4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 22482258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).