[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone

C19H17FN4O3S — CID 7678415

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O3S/c20-14-5-7-15(8-6-14)28(26,27)24-11-9-23(10-12-24)19(25)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2
InChIKeyNRHSSWCRSFTACN-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.92
Rot. Bonds3

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 7678415) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID7678415
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN4O3S/c20-14-5-7-15(8-6-14)28(26,27)24-11-9-23(10-12-24)19(25)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2
InChIKeyNRHSSWCRSFTACN-UHFFFAOYSA-N
XLogP1.92
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
CID 34275124
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 8924804
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 43983003
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-hydroxyphenyl)methanone
CID 31667688
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 171154796
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone (CID 7678415) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is NRHSSWCRSFTACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c20-14-5-7-15(8-6-14)28(26,27)24-11-9-23(10-12-24)19(25)18-13-21-16-3-1-2-4-17(16)22-18/h1-8,13H,9-12H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 400.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 7678415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).