N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide

C14H18N2O3S — CID 97096071

IUPACN-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
SMILESCC[C@H](CCO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-2-11(8-10-17)16-20(18,19)14-7-3-6-13-12(14)5-4-9-15-13/h3-7,9,11,16-17H,2,8,10H2,1H3/t11-/m1/s1
InChIKeyJWYIUDRVRXMZCT-LLVKDONJSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds6

About N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide

N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide (PubChem CID 97096071) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
PubChem CID97096071
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
SMILESCC[C@H](CCO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-2-11(8-10-17)16-20(18,19)14-7-3-6-13-12(14)5-4-9-15-13/h3-7,9,11,16-17H,2,8,10H2,1H3/t11-/m1/s1
InChIKeyJWYIUDRVRXMZCT-LLVKDONJSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
2-(quinolin-5-ylsulfonylamino)pentanethioamide
CID 104773636
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide?
The IUPAC name of N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide (CID 97096071) is N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide?
The canonical SMILES for N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide is CC[C@H](CCO)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide?
The InChIKey is JWYIUDRVRXMZCT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-11(8-10-17)16-20(18,19)14-7-3-6-13-12(14)5-4-9-15-13/h3-7,9,11,16-17H,2,8,10H2,1H3/t11-/m1/s1.
What are the key properties of N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide?
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 97096071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).