[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone

C20H24FN5O3S — CID 18432748

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24FN5O3S/c21-18-16-22-7-6-19(18)23-8-10-24(11-9-23)20(27)25-12-14-26(15-13-25)30(28,29)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyRHNCVTMPGDTGSS-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.47
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone (PubChem CID 18432748) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone
PubChem CID18432748
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24FN5O3S/c21-18-16-22-7-6-19(18)23-8-10-24(11-9-23)20(27)25-12-14-26(15-13-25)30(28,29)17-4-2-1-3-5-17/h1-7,16H,8-15H2
InChIKeyRHNCVTMPGDTGSS-UHFFFAOYSA-N
XLogP1.47
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone (CID 18432748) is [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is RHNCVTMPGDTGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c21-18-16-22-7-6-19(18)23-8-10-24(11-9-23)20(27)25-12-14-26(15-13-25)30(28,29)17-4-2-1-3-5-17/h1-7,16H,8-15H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18432748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).