N-(quinolin-8-ylmethyl)ethanesulfonamide

C12H14N2O2S — CID 47470366

IUPACN-(quinolin-8-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccc2cccnc12
InChIInChI=1S/C12H14N2O2S/c1-2-17(15,16)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-8,14H,2,9H2,1H3
InChIKeyLVLAYVASCQEOJN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.67
Rot. Bonds4

About N-(quinolin-8-ylmethyl)ethanesulfonamide

N-(quinolin-8-ylmethyl)ethanesulfonamide (PubChem CID 47470366) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)ethanesulfonamide
PubChem CID47470366
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(quinolin-8-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccc2cccnc12
InChIInChI=1S/C12H14N2O2S/c1-2-17(15,16)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-8,14H,2,9H2,1H3
InChIKeyLVLAYVASCQEOJN-UHFFFAOYSA-N
XLogP1.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propylamino)-N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 106072915
2-(quinolin-8-ylmethylsulfamoyl)ethanethioamide
CID 81426311
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693228
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(quinolin-8-ylmethyl)-1H-imidazole-5-sulfonamide
CID 78996081
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-1-quinolin-8-ylmethanesulfonamide
CID 75391639
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]ethanesulfonamide
CID 121166355
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(quinolin-8-ylmethyl)ethanesulfonamide (CID 47470366) is N-(quinolin-8-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(quinolin-8-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(quinolin-8-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1cccc2cccnc12.
What is the InChIKey of N-(quinolin-8-ylmethyl)ethanesulfonamide?
The InChIKey is LVLAYVASCQEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-17(15,16)14-9-11-6-3-5-10-7-4-8-13-12(10)11/h3-8,14H,2,9H2,1H3.
What are the key properties of N-(quinolin-8-ylmethyl)ethanesulfonamide?
N-(quinolin-8-ylmethyl)ethanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 47470366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).