methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate

C19H20FNO4S — CID 144676876

IUPACmethyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2c(c1C)N(S(C)(=O)=O)Cc1cccc(F)c1-2
InChIInChI=1S/C19H20FNO4S/c1-11-8-14(9-16(22)25-3)12(2)19-17(11)18-13(6-5-7-15(18)20)10-21(19)26(4,23)24/h5-8H,9-10H2,1-4H3
InChIKeyRFDRLGPXHDYUOO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.10
Rot. Bonds3

About methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate

methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate (PubChem CID 144676876) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate
PubChem CID144676876
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Namemethyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2c(c1C)N(S(C)(=O)=O)Cc1cccc(F)c1-2
InChIInChI=1S/C19H20FNO4S/c1-11-8-14(9-16(22)25-3)12(2)19-17(11)18-13(6-5-7-15(18)20)10-21(19)26(4,23)24/h5-8H,9-10H2,1-4H3
InChIKeyRFDRLGPXHDYUOO-UHFFFAOYSA-N
XLogP3.10
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate?
The IUPAC name of methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate (CID 144676876) is methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate?
The canonical SMILES for methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate is COC(=O)Cc1cc(C)c2c(c1C)N(S(C)(=O)=O)Cc1cccc(F)c1-2.
What is the InChIKey of methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate?
The InChIKey is RFDRLGPXHDYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-11-8-14(9-16(22)25-3)12(2)19-17(11)18-13(6-5-7-15(18)20)10-21(19)26(4,23)24/h5-8H,9-10H2,1-4H3.
What are the key properties of methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate?
methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate has a molecular weight of 377.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(10-fluoro-1,4-dimethyl-5-methylsulfonyl-6H-phenanthridin-3-yl)acetate is sourced from PubChem (CID 144676876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).