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

C13H12N4O2S — CID 78996081

IUPACN-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc2cccnc12)c1cnc[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,12-8-14-9-16-12)17-7-11-4-1-3-10-5-2-6-15-13(10)11/h1-6,8-9,17H,7H2,(H,14,16)
InChIKeyXCJVIPIMDVFGPJ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds4

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

N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide (PubChem CID 78996081) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
PubChem CID78996081
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc2cccnc12)c1cnc[nH]1
InChIInChI=1S/C13H12N4O2S/c18-20(19,12-8-14-9-16-12)17-7-11-4-1-3-10-5-2-6-15-13(10)11/h1-6,8-9,17H,7H2,(H,14,16)
InChIKeyXCJVIPIMDVFGPJ-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-pyrazole-5-sulfonamide
CID 102693228
N-(quinolin-8-ylmethyl)ethanesulfonamide
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CID 4619893
N-(1,2-oxazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600364
2-(quinolin-8-ylmethylsulfamoyl)ethanethioamide
CID 81426311
2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 106072915
N-(1,3-thiazol-5-ylmethyl)-1H-imidazole-5-sulfonamide
CID 104600787
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
4-(quinolin-8-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
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N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
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CID 28608485

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide (CID 78996081) is N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide is O=S(=O)(NCc1cccc2cccnc12)c1cnc[nH]1.
What is the InChIKey of N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is XCJVIPIMDVFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-20(19,12-8-14-9-16-12)17-7-11-4-1-3-10-5-2-6-15-13(10)11/h1-6,8-9,17H,7H2,(H,14,16).
What are the key properties of N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide?
N-(quinolin-8-ylmethyl)-1H-imidazole-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-imidazole-5-sulfonamide is sourced from PubChem (CID 78996081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).