3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

C18H21F2N5O3S — CID 55858070

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H21F2N5O3S/c19-15-5-4-14(11-16(15)20)29(27,28)23-9-6-17(26)24-13-3-1-10-25(12-13)18-21-7-2-8-22-18/h2,4-5,7-8,11,13,23H,1,3,6,9-10,12H2,(H,24,26)
InChIKeyYJMBYKNRDNSLCX-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.21
Rot. Bonds7

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (PubChem CID 55858070) has the molecular formula C18H21F2N5O3S and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
PubChem CID55858070
Molecular FormulaC18H21F2N5O3S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H21F2N5O3S/c19-15-5-4-14(11-16(15)20)29(27,28)23-9-6-17(26)24-13-3-1-10-25(12-13)18-21-7-2-8-22-18/h2,4-5,7-8,11,13,23H,1,3,6,9-10,12H2,(H,24,26)
InChIKeyYJMBYKNRDNSLCX-UHFFFAOYSA-N
XLogP1.21
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 24539431
3-chloro-4-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 47065171
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
4-(4-chlorophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 70737771
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3,4-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 55906495
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-(2-aminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 125118161
2-(3-chlorophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 42592251
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
3-(2-aminophenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 120612580
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide (CID 55858070) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
The InChIKey is YJMBYKNRDNSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3S/c19-15-5-4-14(11-16(15)20)29(27,28)23-9-6-17(26)24-13-3-1-10-25(12-13)18-21-7-2-8-22-18/h2,4-5,7-8,11,13,23H,1,3,6,9-10,12H2,(H,24,26).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide has a molecular weight of 425.46 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide is sourced from PubChem (CID 55858070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).