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

C19H17N3O3S — CID 69075970

IUPAC3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H17N3O3S/c1-14(22-26(23,24)16-6-2-5-15(11-16)12-20)13-25-19-9-3-8-18-17(19)7-4-10-21-18/h2-11,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyMNCXDVKLTVJPOA-AWEZNQCLSA-N
MW367.43 g/mol
LogP2.85
Rot. Bonds6

About 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide

3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (PubChem CID 69075970) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
PubChem CID69075970
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H17N3O3S/c1-14(22-26(23,24)16-6-2-5-15(11-16)12-20)13-25-19-9-3-8-18-17(19)7-4-10-21-18/h2-11,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyMNCXDVKLTVJPOA-AWEZNQCLSA-N
XLogP2.85
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (CID 69075970) is 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The InChIKey is MNCXDVKLTVJPOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14(22-26(23,24)16-6-2-5-15(11-16)12-20)13-25-19-9-3-8-18-17(19)7-4-10-21-18/h2-11,14,22H,13H2,1H3/t14-/m0/s1.
What are the key properties of 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 69075970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).