3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

C15H16F2N4O2S — CID 55906495

IUPAC3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c16-13-3-2-12(10-14(13)17)24(22,23)20-11-4-8-21(9-5-11)15-18-6-1-7-19-15/h1-3,6-7,10-11,20H,4-5,8-9H2
InChIKeyVDAXODIJWYDWEV-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.70
Rot. Bonds4

About 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide

3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (PubChem CID 55906495) has the molecular formula C15H16F2N4O2S and a molecular weight of 354.38 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
PubChem CID55906495
Molecular FormulaC15H16F2N4O2S
Molecular Weight354.38 g/mol
Exact Mass354.10
IUPAC Name3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N4O2S/c16-13-3-2-12(10-14(13)17)24(22,23)20-11-4-8-21(9-5-11)15-18-6-1-7-19-15/h1-3,6-7,10-11,20H,4-5,8-9H2
InChIKeyVDAXODIJWYDWEV-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

Analyze 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
3,4-difluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597498
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 23609654
2,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906494
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
4-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712586
3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713
2,4,6-trichloro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55905584
3,4-difluoro-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 22772626
3,4-difluoro-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814129
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide (CID 55906495) is 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is VDAXODIJWYDWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2S/c16-13-3-2-12(10-14(13)17)24(22,23)20-11-4-8-21(9-5-11)15-18-6-1-7-19-15/h1-3,6-7,10-11,20H,4-5,8-9H2.
What are the key properties of 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide?
3,4-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 3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 55906495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).