3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide

C19H25F2N5O3S — CID 86883874

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide
SMILESCCN1CCC(n2nccc2NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H25F2N5O3S/c1-2-25-11-7-14(8-12-25)26-18(5-9-22-26)24-19(27)6-10-23-30(28,29)15-3-4-16(20)17(21)13-15/h3-5,9,13-14,23H,2,6-8,10-12H2,1H3,(H,24,27)
InChIKeyQDGBWCYMHIVMDZ-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.13
Rot. Bonds8

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

3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide (PubChem CID 86883874) has the molecular formula C19H25F2N5O3S and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide
PubChem CID86883874
Molecular FormulaC19H25F2N5O3S
Molecular Weight441.50 g/mol
Exact Mass441.16
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide
SMILESCCN1CCC(n2nccc2NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H25F2N5O3S/c1-2-25-11-7-14(8-12-25)26-18(5-9-22-26)24-19(27)6-10-23-30(28,29)15-3-4-16(20)17(21)13-15/h3-5,9,13-14,23H,2,6-8,10-12H2,1H3,(H,24,27)
InChIKeyQDGBWCYMHIVMDZ-UHFFFAOYSA-N
XLogP2.13
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3,4-difluoro-N-[3-oxo-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 56551060
5-amino-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-2-methylbenzamide;dihydrochloride
CID 120640532
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-(3,4-difluorophenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26694786
3-[(3,4-difluorophenyl)sulfonylamino]-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 55858070
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 99180754

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide (CID 86883874) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide is CCN1CCC(n2nccc2NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide?
The InChIKey is QDGBWCYMHIVMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O3S/c1-2-25-11-7-14(8-12-25)26-18(5-9-22-26)24-19(27)6-10-23-30(28,29)15-3-4-16(20)17(21)13-15/h3-5,9,13-14,23H,2,6-8,10-12H2,1H3,(H,24,27).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide has a molecular weight of 441.50 g/mol, XLogP of 2.13, 8 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-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 86883874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).