3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide

C15H17FN4O2S — CID 133269920

IUPAC3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2S/c16-12-4-1-6-14(10-12)23(21,22)19-13-5-2-9-20(11-13)15-17-7-3-8-18-15/h1,3-4,6-8,10,13,19H,2,5,9,11H2
InChIKeyKRKYXMHRJZVRDO-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.56
Rot. Bonds4

About 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide

3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide (PubChem CID 133269920) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
PubChem CID133269920
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC Name3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCN(c2ncccn2)C1)c1cccc(F)c1
InChIInChI=1S/C15H17FN4O2S/c16-12-4-1-6-14(10-12)23(21,22)19-13-5-2-9-20(11-13)15-17-7-3-8-18-15/h1,3-4,6-8,10,13,19H,2,5,9,11H2
InChIKeyKRKYXMHRJZVRDO-UHFFFAOYSA-N
XLogP1.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]benzenesulfonamide
CID 133294753
N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 61275954
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968227
N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azepane-1-sulfonamide
CID 94639342
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide (CID 133269920) is 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide is O=S(=O)(NC1CCCN(c2ncccn2)C1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is KRKYXMHRJZVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c16-12-4-1-6-14(10-12)23(21,22)19-13-5-2-9-20(11-13)15-17-7-3-8-18-15/h1,3-4,6-8,10,13,19H,2,5,9,11H2.
What are the key properties of 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide?
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 336.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 133269920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).