methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate

C25H28N4O4S — CID 174561457

IUPACmethyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCNc1cc(NC)c(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)OC)c(NC)c1
InChIInChI=1S/C25H28N4O4S/c1-26-16-13-20(27-2)25(21(14-16)28-3)34(31,32)29-22-12-8-7-10-18(22)17-9-5-6-11-19(17)23(29)15-24(30)33-4/h5-14,23,26-28H,15H2,1-4H3
InChIKeyAKABSPWZARDRIA-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.29
Rot. Bonds7

About methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate

methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate (PubChem CID 174561457) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate
PubChem CID174561457
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Namemethyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate
SMILESCNc1cc(NC)c(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)OC)c(NC)c1
InChIInChI=1S/C25H28N4O4S/c1-26-16-13-20(27-2)25(21(14-16)28-3)34(31,32)29-22-12-8-7-10-18(22)17-9-5-6-11-19(17)23(29)15-24(30)33-4/h5-14,23,26-28H,15H2,1-4H3
InChIKeyAKABSPWZARDRIA-UHFFFAOYSA-N
XLogP4.29
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 67435881
ethyl 2-[5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 10717075
methyl 2-[5-(benzenesulfonyl)-7,9-dimethyl-6H-phenanthridin-6-yl]acetate
CID 102042186
methyl 2-[7-methyl-5-(4-methylphenyl)sulfonyl-6H-phenanthridin-6-yl]acetate
CID 102042184
2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetamide
CID 143492304
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
CID 56923983
methyl 2-(3,12b-dihydro-2H-imidazo[1,2-f]phenanthridin-1-yl)acetate
CID 69376208
methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate
CID 11501904
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
tert-butyl 4-[[[2-[[2-[5-(3,4-dichlorophenyl)sulfonyl-6H-phenanthridin-6-yl]acetyl]amino]acetyl]amino]methyl]piperidine-1-carboxylate
CID 67437272
methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
CID 110672702
2-[2-(chloromethyl)pyrrol-1-yl]sulfonyl-1-N,3-N,5-N-trimethylbenzene-1,3,5-triamine
CID 174369810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate?
The IUPAC name of methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate (CID 174561457) is methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate.
What is the SMILES notation for methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate?
The canonical SMILES for methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate is CNc1cc(NC)c(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)OC)c(NC)c1.
What is the InChIKey of methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate?
The InChIKey is AKABSPWZARDRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-26-16-13-20(27-2)25(21(14-16)28-3)34(31,32)29-22-12-8-7-10-18(22)17-9-5-6-11-19(17)23(29)15-24(30)33-4/h5-14,23,26-28H,15H2,1-4H3.
What are the key properties of methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate?
methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate has a molecular weight of 480.59 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2,4,6-tris(methylamino)phenyl]sulfonyl-6H-phenanthridin-6-yl]acetate is sourced from PubChem (CID 174561457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).