4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

C22H19FN4O2S2 — CID 26451183

IUPAC4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19FN4O2S2/c23-16-7-9-17(10-8-16)31(28,29)27-13-11-26(12-14-27)22-18-4-1-2-5-19(18)24-21(25-22)20-6-3-15-30-20/h1-10,15H,11-14H2
InChIKeyAOJOSLDEHIPRBY-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.01
Rot. Bonds4

About 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 26451183) has the molecular formula C22H19FN4O2S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID26451183
Molecular FormulaC22H19FN4O2S2
Molecular Weight454.55 g/mol
Exact Mass454.09
IUPAC Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19FN4O2S2/c23-16-7-9-17(10-8-16)31(28,29)27-13-11-26(12-14-27)22-18-4-1-2-5-19(18)24-21(25-22)20-6-3-15-30-20/h1-10,15H,11-14H2
InChIKeyAOJOSLDEHIPRBY-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
4-[4-(Naphthalene-2-sulfonyl)piperazin-1-yl]-2-(thiophen-2-yl)quinazoline
CID 40225210
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-(2-Thiophen-2-ylquinazolin-4-yl)morpholine
CID 2570600
4-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9460093
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
4-[4-(4-Methylphenyl)sulfonyl-1-piperazinyl]-2-thiophen-2-ylquinazoline
CID 26450846
4-(4-Methylpiperazin-1-yl)-7-thiophen-3-ylquinazolin-2-amine
CID 49841846
N,N-dimethyl-N''-(2-{(E)-2-[4-(methylsulfonyl)phenyl]vinyl}quinazolin-4-yl)ethane-1,2-diamine
CID 121453126
4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide
CID 404800
1-(4-fluorobenzyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2038212

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 26451183) is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is AOJOSLDEHIPRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S2/c23-16-7-9-17(10-8-16)31(28,29)27-13-11-26(12-14-27)22-18-4-1-2-5-19(18)24-21(25-22)20-6-3-15-30-20/h1-10,15H,11-14H2.
What are the key properties of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 454.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 26451183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).