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

C23H21NO4S — CID 67435881

IUPACmethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCOC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO4S/c1-16-11-13-17(14-12-16)29(26,27)24-21-10-6-5-8-19(21)18-7-3-4-9-20(18)22(24)15-23(25)28-2/h3-14,22H,15H2,1-2H3
InChIKeyZTSGNHVJKMDZGL-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.48
Rot. Bonds4

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

methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate (PubChem CID 67435881) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
PubChem CID67435881
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Namemethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCOC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21NO4S/c1-16-11-13-17(14-12-16)29(26,27)24-21-10-6-5-8-19(21)18-7-3-4-9-20(18)22(24)15-23(25)28-2/h3-14,22H,15H2,1-2H3
InChIKeyZTSGNHVJKMDZGL-UHFFFAOYSA-N
XLogP4.48
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
methyl 2-[7-methyl-5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 102042184
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
methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate
CID 11501904
1-[6-(4-methylphenyl)sulfonyl-5H-benzo[h][1,6]naphthyridin-5-yl]propan-2-one
CID 122399507
2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
CID 143492304
4-[(6-ethyl-9-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
CID 11740455
ethyl (4S)-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrrolo[3,2-c]quinoline-5-carboxylate
CID 139185272
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
methyl 2-[(1S,3S)-3-(2-hydroxynaphthalen-1-yl)-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-1-yl]acetate
CID 134963273
methyl 2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-4-yl]acetate
CID 102334192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The IUPAC name of methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate (CID 67435881) is methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate.
What is the SMILES notation for methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The canonical SMILES for methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate is COC(=O)CC1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
The InChIKey is ZTSGNHVJKMDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-16-11-13-17(14-12-16)29(26,27)24-21-10-6-5-8-19(21)18-7-3-4-9-20(18)22(24)15-23(25)28-2/h3-14,22H,15H2,1-2H3.
What are the key properties of methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate?
methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate has a molecular weight of 407.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate is sourced from PubChem (CID 67435881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).