2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

C15H16F2N4O2S — CID 55906494

IUPAC2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4O2S/c16-11-2-3-14(13(17)10-11)24(22,23)20-12-4-8-21(9-5-12)15-18-6-1-7-19-15/h1-3,6-7,10,12,20H,4-5,8-9H2
InChIKeyVOAFQAWYGMMHLH-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.70
Rot. Bonds4

About 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 55906494) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID55906494
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4O2S/c16-11-2-3-14(13(17)10-11)24(22,23)20-12-4-8-21(9-5-12)15-18-6-1-7-19-15/h1-3,6-7,10,12,20H,4-5,8-9H2
InChIKeyVOAFQAWYGMMHLH-UHFFFAOYSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
N-(1-acetylpiperidin-4-yl)-2,4-difluorobenzenesulfonamide
CID 18141486
2-methylsulfonyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905841
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905584
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
2-methyl-3-nitro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 47064853
N-[2-chloro-5-[4-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118117450
2-[(3S)-3-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-1-yl]pyrimidine
CID 141328638

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (CID 55906494) is 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is VOAFQAWYGMMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c16-11-2-3-14(13(17)10-11)24(22,23)20-12-4-8-21(9-5-12)15-18-6-1-7-19-15/h1-3,6-7,10,12,20H,4-5,8-9H2.
What are the key properties of 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 55906494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).