N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide

C17H17N3O4S — CID 90625175

IUPACN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O4S/c21-14(12-20-10-2-1-8-16(20)22)11-19-25(23,24)15-7-3-5-13-6-4-9-18-17(13)15/h1-10,14,19,21H,11-12H2
InChIKeyXDIKNWSZPJNUHD-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.74
Rot. Bonds6

About N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide (PubChem CID 90625175) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
PubChem CID90625175
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide
SMILESO=c1ccccn1CC(O)CNS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H17N3O4S/c21-14(12-20-10-2-1-8-16(20)22)11-19-25(23,24)15-7-3-5-13-6-4-9-18-17(13)15/h1-10,14,19,21H,11-12H2
InChIKeyXDIKNWSZPJNUHD-UHFFFAOYSA-N
XLogP0.74
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
5-bromo-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]thiophene-2-sulfonamide
CID 90625206
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]naphthalene-1-sulfonamide
CID 10287270
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]quinoline-8-sulfonamide
CID 122266153
N-butylquinoline-8-sulfonamide
CID 2068304
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 90625226
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide (CID 90625175) is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide is O=c1ccccn1CC(O)CNS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide?
The InChIKey is XDIKNWSZPJNUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-14(12-20-10-2-1-8-16(20)22)11-19-25(23,24)15-7-3-5-13-6-4-9-18-17(13)15/h1-10,14,19,21H,11-12H2.
What are the key properties of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide?
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90625175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).