N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide

C18H18N2O3S — CID 90656555

IUPACN-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-14(20-24(21,22)15-7-3-2-4-8-15)13-23-18-11-5-10-17-16(18)9-6-12-19-17/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyVNJAYCLQSGFBOE-AWEZNQCLSA-N
MW342.42 g/mol
LogP2.98
Rot. Bonds6

About N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide

N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (PubChem CID 90656555) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
PubChem CID90656555
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-14(20-24(21,22)15-7-3-2-4-8-15)13-23-18-11-5-10-17-16(18)9-6-12-19-17/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyVNJAYCLQSGFBOE-AWEZNQCLSA-N
XLogP2.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (CID 90656555) is N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The InChIKey is VNJAYCLQSGFBOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14(20-24(21,22)15-7-3-2-4-8-15)13-23-18-11-5-10-17-16(18)9-6-12-19-17/h2-12,14,20H,13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 90656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).