cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone

C13H16FN3O3S — CID 103299350

IUPACcyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H16FN3O3S/c14-11-2-1-5-15-12(11)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2
InChIKeyBJVVZIIKCAFAOU-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.46
Rot. Bonds3

About cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone (PubChem CID 103299350) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone
PubChem CID103299350
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Namecyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H16FN3O3S/c14-11-2-1-5-15-12(11)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2
InChIKeyBJVVZIIKCAFAOU-UHFFFAOYSA-N
XLogP0.46
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone (CID 103299350) is cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone?
The InChIKey is BJVVZIIKCAFAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c14-11-2-1-5-15-12(11)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2.
What are the key properties of cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 103299350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).