N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide

C19H34N2O3S — CID 71460248

IUPACN-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(O)c1cccnc1
InChIInChI=1S/C19H34N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-25(23,24)21-17-19(22)18-13-12-14-20-16-18/h12-14,16,19,21-22H,2-11,15,17H2,1H3
InChIKeyZDVRLDPRYNGFJY-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.96
Rot. Bonds15

About N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide

N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide (PubChem CID 71460248) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide
PubChem CID71460248
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)NCC(O)c1cccnc1
InChIInChI=1S/C19H34N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-25(23,24)21-17-19(22)18-13-12-14-20-16-18/h12-14,16,19,21-22H,2-11,15,17H2,1H3
InChIKeyZDVRLDPRYNGFJY-UHFFFAOYSA-N
XLogP3.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alpha-Hydroxypyridine-3-methanesulphonic acid
CID 101191
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 44335497
2-Amino-1-(pyridin-3-yl)ethan-1-ol
CID 3710594
1-(Pyridin-3-yl)propan-1-ol
CID 11083942
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-iodo-benzenesulfonamide
CID 44303192
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-isopropyl-benzenesulfonamide
CID 44335499
3-[(1R)-2-[2-[4-(dimethylsulfamoylamino)phenyl]ethylamino]-1-hydroxyethyl]pyridine;dihydrochloride
CID 45261506
(3S,5R)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3,5-dimethylpiperidine-1-sulfonamide;dihydrochloride
CID 45261507
3-[(1R)-2-[[1-[4-(dimethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-hydroxyethyl]pyridine;dihydrochloride
CID 45261508
(1R)-2-[[1-[4-(2-methoxyethylsulfamoylamino)phenyl]-2-methylpropan-2-yl]amino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261521
3-[(1R)-2-[2-[4-[[cyclohexyl(methyl)sulfamoyl]amino]phenyl]ethylamino]-1-hydroxyethyl]pyridine;dihydrochloride
CID 45261527
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-methylpiperidine-1-sulfonamide;dihydrochloride
CID 45264895

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide (CID 71460248) is N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)NCC(O)c1cccnc1.
What is the InChIKey of N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide?
The InChIKey is ZDVRLDPRYNGFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-2-3-4-5-6-7-8-9-10-11-15-25(23,24)21-17-19(22)18-13-12-14-20-16-18/h12-14,16,19,21-22H,2-11,15,17H2,1H3.
What are the key properties of N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide?
N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide has a molecular weight of 370.56 g/mol, XLogP of 3.96, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-pyridin-3-ylethyl)dodecane-1-sulfonamide is sourced from PubChem (CID 71460248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).