4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

C22H21NO3S — CID 11740455

IUPAC4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2ccc(C)cc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C22H21NO3S/c1-3-21-19-13-8-15(2)14-20(19)18-6-4-5-7-22(18)23(21)27(25,26)17-11-9-16(24)10-12-17/h4-14,21,24H,3H2,1-2H3
InChIKeyTWSGWPKNTIYZTD-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.03
Rot. Bonds3

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

4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (PubChem CID 11740455) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.

Molecular Properties

Compound Name4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
PubChem CID11740455
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
SMILESCCC1c2ccc(C)cc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C22H21NO3S/c1-3-21-19-13-8-15(2)14-20(19)18-6-4-5-7-22(18)23(21)27(25,26)17-11-9-16(24)10-12-17/h4-14,21,24H,3H2,1-2H3
InChIKeyTWSGWPKNTIYZTD-UHFFFAOYSA-N
XLogP5.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
CID 11494467
4-[(2-bromo-5-ethyl-5H-thieno[3,2-c]isoquinolin-4-yl)sulfonyl]phenol
CID 11698104
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
4-[(6-ethyl-8-fluoro-2-phenyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 10366948
[4-[(6-ethyl-8-fluoro-6H-phenanthridin-5-yl)sulfonyl]phenyl] 3,3-dimethylbutanoate
CID 22482317
1-[5-[6-ethyl-5-(4-hydroxy-3-methylphenyl)sulfonyl-6H-phenanthridin-2-yl]thiophen-2-yl]ethanone
CID 10413774
methyl 2-[7-methyl-5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 102042184
1-[6-(4-methylphenyl)sulfonyl-5H-benzo[h][1,6]naphthyridin-5-yl]propan-2-one
CID 122399507
2-dibenzofuran-4-yl-6-ethyl-5-(3-methylphenyl)sulfonyl-6H-phenanthridine
CID 141090107
4-[(2,9-difluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 22482258
4-[[6-ethyl-2-[(E)-hept-1-enyl]-6H-phenanthridin-5-yl]sulfonyl]-2-methylphenol
CID 10457661

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The IUPAC name of 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol (CID 11740455) is 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol.
What is the SMILES notation for 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The canonical SMILES for 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is CCC1c2ccc(C)cc2-c2ccccc2N1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
The InChIKey is TWSGWPKNTIYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-3-21-19-13-8-15(2)14-20(19)18-6-4-5-7-22(18)23(21)27(25,26)17-11-9-16(24)10-12-17/h4-14,21,24H,3H2,1-2H3.
What are the key properties of 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol?
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol has a molecular weight of 379.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol is sourced from PubChem (CID 11740455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).