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

C27H22FNO3S — CID 10366948

IUPAC4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2cc(-c3ccccc3)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C27H22FNO3S/c1-2-26-25-17-20(28)9-14-23(25)24-16-19(18-6-4-3-5-7-18)8-15-27(24)29(26)33(31,32)22-12-10-21(30)11-13-22/h3-17,26,30H,2H2,1H3
InChIKeyHDQUYACHRXYEII-UHFFFAOYSA-N
MW459.54 g/mol
LogP6.53
Rot. Bonds4

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

4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 10366948) has the molecular formula C27H22FNO3S and a molecular weight of 459.54 g/mol. Its IUPAC name is 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID10366948
Molecular FormulaC27H22FNO3S
Molecular Weight459.54 g/mol
Exact Mass459.13
IUPAC Name4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2cc(F)ccc2-c2cc(-c3ccccc3)ccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C27H22FNO3S/c1-2-26-25-17-20(28)9-14-23(25)24-16-19(18-6-4-3-5-7-18)8-15-27(24)29(26)33(31,32)22-12-10-21(30)11-13-22/h3-17,26,30H,2H2,1H3
InChIKeyHDQUYACHRXYEII-UHFFFAOYSA-N
XLogP6.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 10366948) is 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CCC1c2cc(F)ccc2-c2cc(-c3ccccc3)ccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is HDQUYACHRXYEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FNO3S/c1-2-26-25-17-20(28)9-14-23(25)24-16-19(18-6-4-3-5-7-18)8-15-27(24)29(26)33(31,32)22-12-10-21(30)11-13-22/h3-17,26,30H,2H2,1H3.
What are the key properties of 4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 459.54 g/mol, XLogP of 6.53, 4 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-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 10366948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).