4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline

C18H16F2N4O2S — CID 9207874

IUPAC4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H16F2N4O2S/c19-13-5-6-15(20)17(11-13)27(25,26)24-9-7-23(8-10-24)18-14-3-1-2-4-16(14)21-12-22-18/h1-6,11-12H,7-10H2
InChIKeyQHCNEKWYNPCNJL-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.42
Rot. Bonds3

About 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 9207874) has the molecular formula C18H16F2N4O2S and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID9207874
Molecular FormulaC18H16F2N4O2S
Molecular Weight390.42 g/mol
Exact Mass390.10
IUPAC Name4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C18H16F2N4O2S/c19-13-5-6-15(20)17(11-13)27(25,26)24-9-7-23(8-10-24)18-14-3-1-2-4-16(14)21-12-22-18/h1-6,11-12H,7-10H2
InChIKeyQHCNEKWYNPCNJL-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline (CID 9207874) is 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline is O=S(=O)(c1cc(F)ccc1F)N1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is QHCNEKWYNPCNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2S/c19-13-5-6-15(20)17(11-13)27(25,26)24-9-7-23(8-10-24)18-14-3-1-2-4-16(14)21-12-22-18/h1-6,11-12H,7-10H2.
What are the key properties of 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline?
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 390.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 9207874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).