[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C19H19N3O4S — CID 71808765

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19N3O4S/c23-19(17-13-16(20-21-17)18-7-4-12-26-18)22-10-8-15(9-11-22)27(24,25)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,20,21)
InChIKeyRSRDFLUUJXQUGS-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.75
Rot. Bonds4

About [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 71808765) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID71808765
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H19N3O4S/c23-19(17-13-16(20-21-17)18-7-4-12-26-18)22-10-8-15(9-11-22)27(24,25)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,20,21)
InChIKeyRSRDFLUUJXQUGS-UHFFFAOYSA-N
XLogP2.75
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 71808765) is [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is RSRDFLUUJXQUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-19(17-13-16(20-21-17)18-7-4-12-26-18)22-10-8-15(9-11-22)27(24,25)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2,(H,20,21).
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 385.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 71808765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).