1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine

C22H20FNO3S — CID 141090114

IUPAC1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
SMILESCCc1cccc2c1-c1ccc(F)cc1CN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H20FNO3S/c1-3-15-5-4-6-21-22(15)20-12-7-17(23)13-16(20)14-24(21)28(25,26)19-10-8-18(27-2)9-11-19/h4-13H,3,14H2,1-2H3
InChIKeyVUPDSDQLJMXCCQ-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.77
Rot. Bonds4

About 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine

1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine (PubChem CID 141090114) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine.

Molecular Properties

Compound Name1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
PubChem CID141090114
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine
SMILESCCc1cccc2c1-c1ccc(F)cc1CN2S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H20FNO3S/c1-3-15-5-4-6-21-22(15)20-12-7-17(23)13-16(20)14-24(21)28(25,26)19-10-8-18(27-2)9-11-19/h4-13H,3,14H2,1-2H3
InChIKeyVUPDSDQLJMXCCQ-UHFFFAOYSA-N
XLogP4.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4-[(8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 143169621
3,9-difluoro-5-(4-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
CID 22482344
7-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110635683
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzenesulfonamide
CID 24993539
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 53096828
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
(2R)-N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenyl)sulfonyl-7-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 95081020
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
N-(2,6-diethylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)acetamide
CID 4615229
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 17262758

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine?
The IUPAC name of 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine (CID 141090114) is 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine.
What is the SMILES notation for 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine?
The canonical SMILES for 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine is CCc1cccc2c1-c1ccc(F)cc1CN2S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine?
The InChIKey is VUPDSDQLJMXCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-3-15-5-4-6-21-22(15)20-12-7-17(23)13-16(20)14-24(21)28(25,26)19-10-8-18(27-2)9-11-19/h4-13H,3,14H2,1-2H3.
What are the key properties of 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine?
1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine has a molecular weight of 397.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-fluoro-5-(4-methoxyphenyl)sulfonyl-6H-phenanthridine is sourced from PubChem (CID 141090114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).