4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

C18H23FN4O3S — CID 34344239

IUPAC4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C18H23FN4O3S/c1-2-3-15-12-17(21-20-15)18(24)23-10-8-14(9-11-23)22-27(25,26)16-6-4-13(19)5-7-16/h4-7,12,14,22H,2-3,8-11H2,1H3,(H,20,21)
InChIKeyGQRNYQBGVDLXCP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.08
Rot. Bonds6

About 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 34344239) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID34344239
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCCCc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n[nH]1
InChIInChI=1S/C18H23FN4O3S/c1-2-3-15-12-17(21-20-15)18(24)23-10-8-14(9-11-23)22-27(25,26)16-6-4-13(19)5-7-16/h4-7,12,14,22H,2-3,8-11H2,1H3,(H,20,21)
InChIKeyGQRNYQBGVDLXCP-UHFFFAOYSA-N
XLogP2.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 34344239) is 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is CCCc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n[nH]1.
What is the InChIKey of 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is GQRNYQBGVDLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-2-3-15-12-17(21-20-15)18(24)23-10-8-14(9-11-23)22-27(25,26)16-6-4-13(19)5-7-16/h4-7,12,14,22H,2-3,8-11H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 34344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).