N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide

C14H20N2O3S — CID 62199719

IUPACN-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H20N2O3S/c1-3-4-6-12(2)16-20(18,19)14-9-13(7-5-8-17)10-15-11-14/h9-12,16-17H,3-4,6,8H2,1-2H3
InChIKeyMIXRNJDRXYMAHY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.28
Rot. Bonds6

About N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide

N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide (PubChem CID 62199719) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
PubChem CID62199719
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1cncc(C#CCO)c1
InChIInChI=1S/C14H20N2O3S/c1-3-4-6-12(2)16-20(18,19)14-9-13(7-5-8-17)10-15-11-14/h9-12,16-17H,3-4,6,8H2,1-2H3
InChIKeyMIXRNJDRXYMAHY-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 106217869
N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79481405
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233
5-(3-hydroxyprop-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106407075
5-(3-hydroxyprop-1-ynyl)-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106897522
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
N-(4-aminobutan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 62093672
N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
CID 62200287
3-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225
5-(3-hydroxyprop-1-ynyl)-N-(2-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 62094462
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
N-hexan-3-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 55033591

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The IUPAC name of N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide (CID 62199719) is N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The canonical SMILES for N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide is CCCCC(C)NS(=O)(=O)c1cncc(C#CCO)c1.
What is the InChIKey of N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
The InChIKey is MIXRNJDRXYMAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-4-6-12(2)16-20(18,19)14-9-13(7-5-8-17)10-15-11-14/h9-12,16-17H,3-4,6,8H2,1-2H3.
What are the key properties of N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide?
N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-5-(3-hydroxyprop-1-ynyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62199719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).