(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

C20H16ClF2N3O3S — CID 55875148

IUPAC(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H16ClF2N3O3S/c21-14-10-13-2-1-5-24-19(13)16(11-14)20(27)25-6-8-26(9-7-25)30(28,29)18-12-15(22)3-4-17(18)23/h1-5,10-12H,6-9H2
InChIKeyAMDUKKBOPCATFC-UHFFFAOYSA-N
MW451.88 g/mol
LogP3.31
Rot. Bonds3

About (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 55875148) has the molecular formula C20H16ClF2N3O3S and a molecular weight of 451.88 g/mol. Its IUPAC name is (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID55875148
Molecular FormulaC20H16ClF2N3O3S
Molecular Weight451.88 g/mol
Exact Mass451.06
IUPAC Name(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc2cccnc12)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H16ClF2N3O3S/c21-14-10-13-2-1-5-24-19(13)16(11-14)20(27)25-6-8-26(9-7-25)30(28,29)18-12-15(22)3-4-17(18)23/h1-5,10-12H,6-9H2
InChIKeyAMDUKKBOPCATFC-UHFFFAOYSA-N
XLogP3.31
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 41275094
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 41275092
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,3-dimethylphenyl)methanone
CID 9194106
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55754039
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-methylsulfanylphenyl)methanone
CID 32912403
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloroquinolin-8-yl)methanone;dihydrochloride
CID 120658469
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 41275105
2-[4-(6-chloroquinoline-8-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 55871061
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 27677013
(3R)-1-(6-chloroquinoline-8-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610671
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 55875148) is (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(Cl)cc2cccnc12)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AMDUKKBOPCATFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O3S/c21-14-10-13-2-1-5-24-19(13)16(11-14)20(27)25-6-8-26(9-7-25)30(28,29)18-12-15(22)3-4-17(18)23/h1-5,10-12H,6-9H2.
What are the key properties of (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 451.88 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 55875148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).