8-(4-phenylpiperazin-1-yl)sulfonylquinoline

C19H19N3O2S — CID 1356333

IUPAC8-(4-phenylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,18-10-4-6-16-7-5-11-20-19(16)18)22-14-12-21(13-15-22)17-8-2-1-3-9-17/h1-11H,12-15H2
InChIKeyJFJQCQAUBVYCLI-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.75
Rot. Bonds3

About 8-(4-phenylpiperazin-1-yl)sulfonylquinoline

8-(4-phenylpiperazin-1-yl)sulfonylquinoline (PubChem CID 1356333) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 8-(4-phenylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-phenylpiperazin-1-yl)sulfonylquinoline
PubChem CID1356333
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name8-(4-phenylpiperazin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H19N3O2S/c23-25(24,18-10-4-6-16-7-5-11-20-19(16)18)22-14-12-21(13-15-22)17-8-2-1-3-9-17/h1-11H,12-15H2
InChIKeyJFJQCQAUBVYCLI-UHFFFAOYSA-N
XLogP2.75
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Intepirdine
CID 11256720
8-(p-Toluenesulfonylamino)quinoline
CID 82533
N-(Quinolin-8-yl)benzenesulfonamide
CID 161167
8-Quinolinesulfonamide
CID 94464
8-Quinolinesulfonic acid
CID 66561
Quinoline, 8,8'-dithiobis-
CID 70876
Gsk-215083 C-11
CID 11696674
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
2-Amino-N-quinolin-8-yl-benzenesulfonamide
CID 1070159
KM11060
CID 1241327
N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 118873492
5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 659101

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-phenylpiperazin-1-yl)sulfonylquinoline (CID 1356333) is 8-(4-phenylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-phenylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-phenylpiperazin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 8-(4-phenylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is JFJQCQAUBVYCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-25(24,18-10-4-6-16-7-5-11-20-19(16)18)22-14-12-21(13-15-22)17-8-2-1-3-9-17/h1-11H,12-15H2.
What are the key properties of 8-(4-phenylpiperazin-1-yl)sulfonylquinoline?
8-(4-phenylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 353.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 1356333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).