N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide

C18H18N2O3S — CID 97239230

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc2cccnc12)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-12-17(14-6-2-1-3-7-14)20-24(22,23)13-16-9-4-8-15-10-5-11-19-18(15)16/h1-11,17,20-21H,12-13H2/t17-/m0/s1
InChIKeyHNEMDSBGJCESMS-KRWDZBQOSA-N
MW342.42 g/mol
LogP2.39
Rot. Bonds6

About N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide

N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide (PubChem CID 97239230) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide
PubChem CID97239230
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccc2cccnc12)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c21-12-17(14-6-2-1-3-7-14)20-24(22,23)13-16-9-4-8-15-10-5-11-19-18(15)16/h1-11,17,20-21H,12-13H2/t17-/m0/s1
InChIKeyHNEMDSBGJCESMS-KRWDZBQOSA-N
XLogP2.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-quinolin-8-ylmethanesulfonamide
CID 119983405
N-(quinolin-8-ylmethylsulfonyl)cyclopropanecarboxamide
CID 155945521
N-methyl-1-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81230696
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
1-[(1S)-2-methylsulfonyl-1-phenylethyl]-3-quinolin-8-ylurea
CID 97000980
N-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]-1-quinolin-8-ylmethanesulfonamide
CID 75391639
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632
(2R)-2-phenyl-2-[(2-quinolin-8-ylacetyl)amino]acetamide
CID 94598983
aluminum quinolin-8-ylmethanol
CID 23124809
N-(quinolin-8-ylmethyl)ethanesulfonamide
CID 47470366
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide (CID 97239230) is N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide is O=S(=O)(Cc1cccc2cccnc12)N[C@@H](CO)c1ccccc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide?
The InChIKey is HNEMDSBGJCESMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-12-17(14-6-2-1-3-7-14)20-24(22,23)13-16-9-4-8-15-10-5-11-19-18(15)16/h1-11,17,20-21H,12-13H2/t17-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-1-quinolin-8-ylmethanesulfonamide is sourced from PubChem (CID 97239230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).