N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide

C18H16N4O3S — CID 122266153

IUPACN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc2cccnc12
InChIInChI=1S/C18H16N4O3S/c23-26(24,17-8-1-5-14-6-2-9-19-18(14)17)21-13-15(16-7-3-12-25-16)22-11-4-10-20-22/h1-12,15,21H,13H2
InChIKeyJPCVZVTUBZSSKJ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.59
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide

N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide (PubChem CID 122266153) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
PubChem CID122266153
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc2cccnc12
InChIInChI=1S/C18H16N4O3S/c23-26(24,17-8-1-5-14-6-2-9-19-18(14)17)21-13-15(16-7-3-12-25-16)22-11-4-10-20-22/h1-12,15,21H,13H2
InChIKeyJPCVZVTUBZSSKJ-UHFFFAOYSA-N
XLogP2.59
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide (CID 122266153) is N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide is O=S(=O)(NCC(c1ccco1)n1cccn1)c1cccc2cccnc12.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide?
The InChIKey is JPCVZVTUBZSSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-26(24,17-8-1-5-14-6-2-9-19-18(14)17)21-13-15(16-7-3-12-25-16)22-11-4-10-20-22/h1-12,15,21H,13H2.
What are the key properties of N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide?
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 122266153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).