N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide

C13H12N4O2S — CID 102693228

IUPACN-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc2cccnc12)c1ccn[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,12-6-8-15-17-12)16-9-11-4-1-3-10-5-2-7-14-13(10)11/h1-8,16H,9H2,(H,15,17)
InChIKeyKELHXWRGGSRIPF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds4

About N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693228) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693228
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc2cccnc12)c1ccn[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,12-6-8-15-17-12)16-9-11-4-1-3-10-5-2-7-14-13(10)11/h1-8,16H,9H2,(H,15,17)
InChIKeyKELHXWRGGSRIPF-UHFFFAOYSA-N
XLogP1.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
2-(quinolin-8-ylmethylsulfamoyl)ethanethioamide
CID 81426311
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420
2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 106072915
4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47083607
N-(3-amino-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102690598
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106385117
N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102691291
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-(quinolin-8-ylmethyl)aniline
CID 28610045

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 102693228) is N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCc1cccc2cccnc12)c1ccn[nH]1.
What is the InChIKey of N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is KELHXWRGGSRIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-20(19,12-6-8-15-17-12)16-9-11-4-1-3-10-5-2-7-14-13(10)11/h1-8,16H,9H2,(H,15,17).
What are the key properties of N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).