1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone

C20H19ClN4O4S — CID 2125605

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O4S/c21-15-5-7-16(8-6-15)30(27,28)25-11-9-24(10-12-25)19(26)13-29-20-17-3-1-2-4-18(17)22-14-23-20/h1-8,14H,9-13H2
InChIKeyTUPMNZNRCHEOJN-UHFFFAOYSA-N
MW446.92 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 2125605) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID2125605
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESO=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN4O4S/c21-15-5-7-16(8-6-15)30(27,28)25-11-9-24(10-12-25)19(26)13-29-20-17-3-1-2-4-18(17)22-14-23-20/h1-8,14H,9-13H2
InChIKeyTUPMNZNRCHEOJN-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2082240
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 2710685
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2652588
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 18287130
1-[4-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]-5-phenylpenta-1,4-dien-3-one
CID 175377895
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523107
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 1072073
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone (CID 2125605) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone is O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is TUPMNZNRCHEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-15-5-7-16(8-6-15)30(27,28)25-11-9-24(10-12-25)19(26)13-29-20-17-3-1-2-4-18(17)22-14-23-20/h1-8,14H,9-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 446.92 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 2125605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).