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

C19H20N2O4S — CID 90656553

IUPAC2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12
InChIInChI=1S/C19H20N2O4S/c1-14(21-26(22,23)19-11-4-3-9-18(19)24-2)13-25-17-10-5-8-16-15(17)7-6-12-20-16/h3-12,14,21H,13H2,1-2H3/t14-/m0/s1
InChIKeyMSUGUWYGWGMSQH-AWEZNQCLSA-N
MW372.45 g/mol
LogP2.99
Rot. Bonds7

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

2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (PubChem CID 90656553) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
PubChem CID90656553
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12
InChIInChI=1S/C19H20N2O4S/c1-14(21-26(22,23)19-11-4-3-9-18(19)24-2)13-25-17-10-5-8-16-15(17)7-6-12-20-16/h3-12,14,21H,13H2,1-2H3/t14-/m0/s1
InChIKeyMSUGUWYGWGMSQH-AWEZNQCLSA-N
XLogP2.99
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (CID 90656553) is 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)N[C@@H](C)COc1cccc2ncccc12.
What is the InChIKey of 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The InChIKey is MSUGUWYGWGMSQH-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14(21-26(22,23)19-11-4-3-9-18(19)24-2)13-25-17-10-5-8-16-15(17)7-6-12-20-16/h3-12,14,21H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 90656553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).