1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine

C19H13ClFN3O7S — CID 162645729

IUPAC1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine
SMILESN#Cc1cc(Cl)cc(Oc2cc(OS(=O)(=O)F)ccc2OCCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-17-10-14(31-32(21,27)28)1-2-16(17)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26)
InChIKeyVUCIASFZGRPCRH-UHFFFAOYSA-N
MW481.85 g/mol
LogP2.53
Rot. Bonds8

About 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine

1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine (PubChem CID 162645729) has the molecular formula C19H13ClFN3O7S and a molecular weight of 481.85 g/mol. Its IUPAC name is 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine.

Molecular Properties

Compound Name1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine
PubChem CID162645729
Molecular FormulaC19H13ClFN3O7S
Molecular Weight481.85 g/mol
Exact Mass481.01
IUPAC Name1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine
SMILESN#Cc1cc(Cl)cc(Oc2cc(OS(=O)(=O)F)ccc2OCCn2ccc(=O)[nH]c2=O)c1
InChIInChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-17-10-14(31-32(21,27)28)1-2-16(17)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26)
InChIKeyVUCIASFZGRPCRH-UHFFFAOYSA-N
XLogP2.53
TPSA140.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine with MolForge

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Related Compounds

3-chloro-5-[4-chloro-2-[2-(5-chloro-2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]benzonitrile
CID 46869120
3-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-4-[3-(2-methoxyethoxy)phenoxy]benzonitrile
CID 56925899
3-chloro-5-[2-chloro-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzonitrile
CID 25028003
2-(2-chlorophenoxy)-3-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]-5-fluorobenzonitrile
CID 71592790
2-[3-[2-chloro-6-[2-(2,4-dioxopyrimidin-1-yl)ethoxy]phenoxy]-5-fluorophenyl]prop-2-enenitrile
CID 71592779
3-chloro-5-[6-chloro-2-fluoro-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]benzonitrile
CID 25027786
3-chloro-5-[(3-chloro-6-methyl-2-oxo-1H-pyridin-4-yl)oxy]benzonitrile
CID 59529755
2-[4-[2-[4-chloro-2-(3-chloro-5-cyanophenoxy)phenoxy]acetyl]phenoxy]acetic acid
CID 134816230
1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione
CID 42648007
3-chloro-5-[3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-6-ethyl-2-fluorophenoxy]benzonitrile
CID 25095156
3-chloro-5-[2,3-dimethyl-4-(2-oxoethyl)phenoxy]benzonitrile
CID 89267976
1-[2-[4,5-dimethyl-2-[(2,3,7-trimethyl-6H-naphthalen-6-id-1-yl)oxy]phenoxy]ethyl]pyrimidine-2,4-dione;yttrium
CID 152842497

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine?
The IUPAC name of 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine (CID 162645729) is 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine.
What is the SMILES notation for 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine?
The canonical SMILES for 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine is N#Cc1cc(Cl)cc(Oc2cc(OS(=O)(=O)F)ccc2OCCn2ccc(=O)[nH]c2=O)c1.
What is the InChIKey of 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine?
The InChIKey is VUCIASFZGRPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O7S/c20-13-7-12(11-22)8-15(9-13)30-17-10-14(31-32(21,27)28)1-2-16(17)29-6-5-24-4-3-18(25)23-19(24)26/h1-4,7-10H,5-6H2,(H,23,25,26).
What are the key properties of 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine?
1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine has a molecular weight of 481.85 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chloro-5-cyanophenoxy)-4-fluorosulfonyloxyphenoxy]ethyl]-2,4-dioxopyrimidine is sourced from PubChem (CID 162645729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).