4-quinolin-8-ylsulfonylbenzenecarboximidamide

C16H13N3O2S — CID 57159416

IUPAC4-quinolin-8-ylsulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H13N3O2S/c17-16(18)12-6-8-13(9-7-12)22(20,21)14-5-1-3-11-4-2-10-19-15(11)14/h1-10H,(H3,17,18)
InChIKeyUGOXSURYCLHKAJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.35
Rot. Bonds3

About 4-quinolin-8-ylsulfonylbenzenecarboximidamide

4-quinolin-8-ylsulfonylbenzenecarboximidamide (PubChem CID 57159416) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-quinolin-8-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name4-quinolin-8-ylsulfonylbenzenecarboximidamide
PubChem CID57159416
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-quinolin-8-ylsulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H13N3O2S/c17-16(18)12-6-8-13(9-7-12)22(20,21)14-5-1-3-11-4-2-10-19-15(11)14/h1-10H,(H3,17,18)
InChIKeyUGOXSURYCLHKAJ-UHFFFAOYSA-N
XLogP2.35
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 23302532
4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
CID 23302369
3-[(2S)-3-oxo-3-piperidin-1-yl-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide
CID 57303460
4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
CID 23296474
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302565
2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid
CID 23302333
[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-3-yl] N-(4-carbamimidoylphenyl)carbamate;hydrochloride
CID 70065019
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302796
ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-4-methyl-1H-benzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate
CID 70077183
phenyl-(5-quinolin-8-ylsulfonyl-1,3,4-oxadiazol-2-yl)methanone
CID 58302553
3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
CID 82253720

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-8-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 4-quinolin-8-ylsulfonylbenzenecarboximidamide (CID 57159416) is 4-quinolin-8-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 4-quinolin-8-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 4-quinolin-8-ylsulfonylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 4-quinolin-8-ylsulfonylbenzenecarboximidamide?
The InChIKey is UGOXSURYCLHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c17-16(18)12-6-8-13(9-7-12)22(20,21)14-5-1-3-11-4-2-10-19-15(11)14/h1-10H,(H3,17,18).
What are the key properties of 4-quinolin-8-ylsulfonylbenzenecarboximidamide?
4-quinolin-8-ylsulfonylbenzenecarboximidamide has a molecular weight of 311.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-8-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 57159416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).