N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide

C14H16N2O3S — CID 704975

IUPACN-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O3S/c17-20(18,16-10-12-6-3-9-19-12)13-7-1-4-11-5-2-8-15-14(11)13/h1-2,4-5,7-8,12,16H,3,6,9-10H2/t12-/m0/s1
InChIKeyJHXQMSIJNVPFRN-LBPRGKRZSA-N
MW292.36 g/mol
LogP1.69
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide

N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide (PubChem CID 704975) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
PubChem CID704975
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)c1cccc2cccnc12
InChIInChI=1S/C14H16N2O3S/c17-20(18,16-10-12-6-3-9-19-12)13-7-1-4-11-5-2-8-15-14(11)13/h1-2,4-5,7-8,12,16H,3,6,9-10H2/t12-/m0/s1
InChIKeyJHXQMSIJNVPFRN-LBPRGKRZSA-N
XLogP1.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2906606
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)quinoline-8-sulfonamide
CID 139679092
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 77403363
N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]quinoline-8-sulfonamide
CID 175417940
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
2-methyl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 35289468

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide (CID 704975) is N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide is O=S(=O)(NC[C@@H]1CCCO1)c1cccc2cccnc12.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is JHXQMSIJNVPFRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-20(18,16-10-12-6-3-9-19-12)13-7-1-4-11-5-2-8-15-14(11)13/h1-2,4-5,7-8,12,16H,3,6,9-10H2/t12-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide?
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).