1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine

C22H22Cl2F2N4O4S2 — CID 88539604

IUPAC1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine
SMILESCCCS(=O)(=O)c1cccc(F)c1NN(c1nc(Cl)ncc1Cl)c1c(F)cccc1S(=O)(=O)CCC
InChIInChI=1S/C22H22Cl2F2N4O4S2/c1-3-11-35(31,32)17-9-5-7-15(25)19(17)29-30(21-14(23)13-27-22(24)28-21)20-16(26)8-6-10-18(20)36(33,34)12-4-2/h5-10,13,29H,3-4,11-12H2,1-2H3
InChIKeyKIDJPSGVDPHVNK-UHFFFAOYSA-N
MW579.48 g/mol
LogP5.59
Rot. Bonds10

About 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine

1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine (PubChem CID 88539604) has the molecular formula C22H22Cl2F2N4O4S2 and a molecular weight of 579.48 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine
PubChem CID88539604
Molecular FormulaC22H22Cl2F2N4O4S2
Molecular Weight579.48 g/mol
Exact Mass578.04
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine
SMILESCCCS(=O)(=O)c1cccc(F)c1NN(c1nc(Cl)ncc1Cl)c1c(F)cccc1S(=O)(=O)CCC
InChIInChI=1S/C22H22Cl2F2N4O4S2/c1-3-11-35(31,32)17-9-5-7-15(25)19(17)29-30(21-14(23)13-27-22(24)28-21)20-16(26)8-6-10-18(20)36(33,34)12-4-2/h5-10,13,29H,3-4,11-12H2,1-2H3
InChIKeyKIDJPSGVDPHVNK-UHFFFAOYSA-N
XLogP5.59
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.48
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine (CID 88539604) is 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine is CCCS(=O)(=O)c1cccc(F)c1NN(c1nc(Cl)ncc1Cl)c1c(F)cccc1S(=O)(=O)CCC.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine?
The InChIKey is KIDJPSGVDPHVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2F2N4O4S2/c1-3-11-35(31,32)17-9-5-7-15(25)19(17)29-30(21-14(23)13-27-22(24)28-21)20-16(26)8-6-10-18(20)36(33,34)12-4-2/h5-10,13,29H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine?
1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine has a molecular weight of 579.48 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)-1,2-bis(2-fluoro-6-propylsulfonylphenyl)hydrazine is sourced from PubChem (CID 88539604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).