N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide

C17H13N3O2S — CID 74225429

IUPACN-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C17H13N3O2S/c18-11-10-13-6-8-15(9-7-13)20-23(21,22)16-5-1-3-14-4-2-12-19-17(14)16/h1-9,12,20H,10H2
InChIKeyLKUDCZGELFEAKU-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide

N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide (PubChem CID 74225429) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
PubChem CID74225429
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C17H13N3O2S/c18-11-10-13-6-8-15(9-7-13)20-23(21,22)16-5-1-3-14-4-2-12-19-17(14)16/h1-9,12,20H,10H2
InChIKeyLKUDCZGELFEAKU-UHFFFAOYSA-N
XLogP3.10
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62301529
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 123344778
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]quinoline-8-sulfonamide
CID 23296521
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
CID 167985202
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide (CID 74225429) is N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide is N#CCc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is LKUDCZGELFEAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c18-11-10-13-6-8-15(9-7-13)20-23(21,22)16-5-1-3-14-4-2-12-19-17(14)16/h1-9,12,20H,10H2.
What are the key properties of N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide?
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 323.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 74225429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).