N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide

C19H16N4O2S — CID 22205174

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H16N4O2S/c24-26(25,18-6-1-4-16-5-2-11-20-19(16)18)22-14-15-7-9-17(10-8-15)23-13-3-12-21-23/h1-13,22H,14H2
InChIKeyZIJKBRJYBVRXGP-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.90
Rot. Bonds5

About N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide

N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide (PubChem CID 22205174) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
PubChem CID22205174
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccc2cccnc12
InChIInChI=1S/C19H16N4O2S/c24-26(25,18-6-1-4-16-5-2-11-20-19(16)18)22-14-15-7-9-17(10-8-15)23-13-3-12-21-23/h1-13,22H,14H2
InChIKeyZIJKBRJYBVRXGP-UHFFFAOYSA-N
XLogP2.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide (CID 22205174) is N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide is O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide?
The InChIKey is ZIJKBRJYBVRXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-26(25,18-6-1-4-16-5-2-11-20-19(16)18)22-14-15-7-9-17(10-8-15)23-13-3-12-21-23/h1-13,22H,14H2.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide?
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 22205174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).