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

C19H17N3O3S — CID 90656554

IUPAC2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H17N3O3S/c1-14(22-26(23,24)19-10-3-2-6-15(19)12-20)13-25-18-9-4-8-17-16(18)7-5-11-21-17/h2-11,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyVKEHZZUYRMFQOC-AWEZNQCLSA-N
MW367.43 g/mol
LogP2.85
Rot. Bonds6

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

2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (PubChem CID 90656554) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
PubChem CID90656554
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
SMILESC[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C19H17N3O3S/c1-14(22-26(23,24)19-10-3-2-6-15(19)12-20)13-25-18-9-4-8-17-16(18)7-5-11-21-17/h2-11,14,22H,13H2,1H3/t14-/m0/s1
InChIKeyVKEHZZUYRMFQOC-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

Analyze 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-cyano-N-pent-4-en-2-ylbenzenesulfonamide
CID 113317113
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
2-cyano-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 113318745
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide (CID 90656554) is 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
The InChIKey is VKEHZZUYRMFQOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14(22-26(23,24)19-10-3-2-6-15(19)12-20)13-25-18-9-4-8-17-16(18)7-5-11-21-17/h2-11,14,22H,13H2,1H3/t14-/m0/s1.
What are the key properties of 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide?
2-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 2-cyano-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 90656554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).