[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone

C20H17F2N3O3S — CID 26204309

IUPAC[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H17F2N3O3S/c21-16-7-6-15(13-17(16)22)29(27,28)25-11-9-24(10-12-25)20(26)19-8-5-14-3-1-2-4-18(14)23-19/h1-8,13H,9-12H2
InChIKeyWZVZFYWPZMTDOP-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.66
Rot. Bonds3

About [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 26204309) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID26204309
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H17F2N3O3S/c21-16-7-6-15(13-17(16)22)29(27,28)25-11-9-24(10-12-25)20(26)19-8-5-14-3-1-2-4-18(14)23-19/h1-8,13H,9-12H2
InChIKeyWZVZFYWPZMTDOP-UHFFFAOYSA-N
XLogP2.66
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone 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

2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-fluoro-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767252
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(2-quinolyl)ethane-1,2-dione
CID 5280263
N-[4-(1-piperidinyl)phenyl]-2-quinolinecarboxamide
CID 2415002
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 1306259
[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 4807360
1-(4-Benzoylpiperazin-1-yl)-2-(2-quinolyl)ethane-1,2-dione
CID 5280258
N,N-Diethyl-4-phenylquinoline-2-carboxamide
CID 13272353
N-[4-(4-phenylpiperazin-1-yl)butyl]quinoline-2-carboxamide
CID 57873518
(3R)-3-amino-1-[4-(quinoline-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70686723
4-(4-Fluorophenyl)-7-[(2-oxopiperidin-1-yl)methyl]quinoline-2-carboxamide
CID 71565735
7-[(2,6-Dioxopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide
CID 71566672
N-[2-(4-benzylpiperidin-1-yl)ethyl]quinoline-2-carboxamide
CID 122188776

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone (CID 26204309) is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is WZVZFYWPZMTDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-16-7-6-15(13-17(16)22)29(27,28)25-11-9-24(10-12-25)20(26)19-8-5-14-3-1-2-4-18(14)23-19/h1-8,13H,9-12H2.
What are the key properties of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone?
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 417.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 26204309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).