4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

C22H20FNO3S — CID 10386099

IUPAC4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2cc(C)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C22H20FNO3S/c1-3-21-20-13-15(23)5-10-18(20)19-12-14(2)4-11-22(19)24(21)28(26,27)17-8-6-16(25)7-9-17/h4-13,21,25H,3H2,1-2H3
InChIKeyHDCKPBWGDJHPTO-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.17
Rot. Bonds3

About 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 10386099) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID10386099
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2cc(C)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C22H20FNO3S/c1-3-21-20-13-15(23)5-10-18(20)19-12-14(2)4-11-22(19)24(21)28(26,27)17-8-6-16(25)7-9-17/h4-13,21,25H,3H2,1-2H3
InChIKeyHDCKPBWGDJHPTO-UHFFFAOYSA-N
XLogP5.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407802
6-(Dimethylamino)-3-(4'-hydroxyphenyl)-2,3-dihydronaphtho[1,8-de][1,2]thiazine 1,1-dioxide (7d)
CID 126842702
4-(2-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenol
CID 43135503
4-hydroxy-N-propyl-N-(2-(trifluoromethyl)phenyl)benzenesulfonamide
CID 44407812
N-biphenyl-2-yl-4-hydroxy-3-methyl-N-propyl-benzenesulfonamide
CID 44407826
(S,E)-1-(1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one O-phenyl oxime
CID 117976672
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenol
CID 28300454
4-fluoro-N-((2'-hydroxy-[1,1'-biphenyl]-2-yl)ethynyl)-N-(p-tolyl)benzenesulfonamide
CID 155982169
2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol
CID 71886440
3-[(8-fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
CID 9976353
2-chloro-4-[(6-ethyl-8-fluorophenanthridin-5(6H)-yl)sulfonyl]phenol
CID 9979389
4-{[(R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]sulfonyl}phenol
CID 9999147

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 10386099) is 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CCC1c2cc(F)ccc2-c2cc(C)ccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is HDCKPBWGDJHPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-3-21-20-13-15(23)5-10-18(20)19-12-14(2)4-11-22(19)24(21)28(26,27)17-8-6-16(25)7-9-17/h4-13,21,25H,3H2,1-2H3.
What are the key properties of 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 397.47 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-8-fluoro-2-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 10386099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).