1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide

C9H13FN4O2S — CID 134522270

IUPAC1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4O2S/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)17(11,15)16/h4-5,8H,1-3,6H2,(H2,11,15,16)
InChIKeyNBDARGCTVFUOCV-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.13
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide

1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide (PubChem CID 134522270) has the molecular formula C9H13FN4O2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
PubChem CID134522270
Molecular FormulaC9H13FN4O2S
Molecular Weight260.29 g/mol
Exact Mass260.07
IUPAC Name1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H13FN4O2S/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)17(11,15)16/h4-5,8H,1-3,6H2,(H2,11,15,16)
InChIKeyNBDARGCTVFUOCV-UHFFFAOYSA-N
XLogP-0.13
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide (CID 134522270) is 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
The InChIKey is NBDARGCTVFUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O2S/c10-7-4-12-9(13-5-7)14-3-1-2-8(6-14)17(11,15)16/h4-5,8H,1-3,6H2,(H2,11,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide?
1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide has a molecular weight of 260.29 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 134522270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).