ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate

C24H23NO4S — CID 10717075

IUPACethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-3-29-24(26)16-23-21-10-5-4-8-19(21)20-9-6-7-11-22(20)25(23)30(27,28)18-14-12-17(2)13-15-18/h4-15,23H,3,16H2,1-2H3
InChIKeyMEEITHARKHGMQW-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.87
Rot. Bonds5

About ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate

ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate (PubChem CID 10717075) has the molecular formula C24H23NO4S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
PubChem CID10717075
Molecular FormulaC24H23NO4S
Molecular Weight421.52 g/mol
Exact Mass421.13
IUPAC Nameethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCCOC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H23NO4S/c1-3-29-24(26)16-23-21-10-5-4-8-19(21)20-9-6-7-11-22(20)25(23)30(27,28)18-14-12-17(2)13-15-18/h4-15,23H,3,16H2,1-2H3
InChIKeyMEEITHARKHGMQW-UHFFFAOYSA-N
XLogP4.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
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
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
ethyl 2-[(2R,3S,4R)-2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-nitro-3,4-dihydro-2H-quinolin-4-yl]acetate
CID 134841392
2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
CID 143492304
ethyl 2-[(2R,3S,4R)-3-methyl-1-(4-methylphenyl)sulfonyl-3-nitro-2-phenyl-2,4-dihydroquinolin-4-yl]acetate
CID 134948613
methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate
CID 11501904
methyl 2-[5-(benzenesulfonyl)-7,9-dimethyl-6H-phenanthridin-6-yl]acetate
CID 102042186
methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate
CID 174561457
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide;hydrochloride
CID 23627457
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The IUPAC name of ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate (CID 10717075) is ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The canonical SMILES for ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate is CCOC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The InChIKey is MEEITHARKHGMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4S/c1-3-29-24(26)16-23-21-10-5-4-8-19(21)20-9-6-7-11-22(20)25(23)30(27,28)18-14-12-17(2)13-15-18/h4-15,23H,3,16H2,1-2H3.
What are the key properties of ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate has a molecular weight of 421.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate is sourced from PubChem (CID 10717075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).