[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

C19H15Cl2FN4O3S — CID 112844504

IUPAC[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESO=C(c1cc(F)cc2nccnc12)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H15Cl2FN4O3S/c20-15-2-1-13(11-16(15)21)30(28,29)26-7-5-25(6-8-26)19(27)14-9-12(22)10-17-18(14)24-4-3-23-17/h1-4,9-11H,5-8H2
InChIKeyIRFHWMPNWALTFH-UHFFFAOYSA-N
MW469.33 g/mol
LogP3.22
Rot. Bonds3

About [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (PubChem CID 112844504) has the molecular formula C19H15Cl2FN4O3S and a molecular weight of 469.33 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
PubChem CID112844504
Molecular FormulaC19H15Cl2FN4O3S
Molecular Weight469.33 g/mol
Exact Mass468.02
IUPAC Name[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESO=C(c1cc(F)cc2nccnc12)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H15Cl2FN4O3S/c20-15-2-1-13(11-16(15)21)30(28,29)26-7-5-25(6-8-26)19(27)14-9-12(22)10-17-18(14)24-4-3-23-17/h1-4,9-11H,5-8H2
InChIKeyIRFHWMPNWALTFH-UHFFFAOYSA-N
XLogP3.22
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112845805
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 23853559
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
benzo[f]quinolin-5-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55754039
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 52897126
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
(2-chloro-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9495925
(6-chloroquinolin-8-yl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55875148
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 8925068
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 55648299

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (CID 112844504) is [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is O=C(c1cc(F)cc2nccnc12)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The InChIKey is IRFHWMPNWALTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4O3S/c20-15-2-1-13(11-16(15)21)30(28,29)26-7-5-25(6-8-26)19(27)14-9-12(22)10-17-18(14)24-4-3-23-17/h1-4,9-11H,5-8H2.
What are the key properties of [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone has a molecular weight of 469.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is sourced from PubChem (CID 112844504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).