5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide

C14H19N3O3S — CID 104850522

IUPAC5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O3S/c1-9(8-10(2)18)17-21(19,20)13-6-5-12(15)11-4-3-7-16-14(11)13/h3-7,9-10,17-18H,8,15H2,1-2H3
InChIKeyIYSWOTJJVAKJFX-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.25
Rot. Bonds5

About 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide

5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide (PubChem CID 104850522) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
PubChem CID104850522
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C14H19N3O3S/c1-9(8-10(2)18)17-21(19,20)13-6-5-12(15)11-4-3-7-16-14(11)13/h3-7,9-10,17-18H,8,15H2,1-2H3
InChIKeyIYSWOTJJVAKJFX-UHFFFAOYSA-N
XLogP1.25
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
2-amino-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113375971
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987
1-[(5-aminoquinolin-8-yl)methyl-methylamino]propan-2-ol
CID 62334736

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide (CID 104850522) is 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide is CC(O)CC(C)NS(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide?
The InChIKey is IYSWOTJJVAKJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(8-10(2)18)17-21(19,20)13-6-5-12(15)11-4-3-7-16-14(11)13/h3-7,9-10,17-18H,8,15H2,1-2H3.
What are the key properties of 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide?
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 104850522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).