N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide

C11H14N2O3S — CID 102821679

IUPACN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C11H14N2O3S/c1-2-17(15,16)13-11-9-10(6-7-12-11)5-3-4-8-14/h6-7,9,14H,2,4,8H2,1H3,(H,12,13)
InChIKeyBTKVLDRLYQYZBR-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.58
Rot. Bonds4

About N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide

N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide (PubChem CID 102821679) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
PubChem CID102821679
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(C#CCCO)ccn1
InChIInChI=1S/C11H14N2O3S/c1-2-17(15,16)13-11-9-10(6-7-12-11)5-3-4-8-14/h6-7,9,14H,2,4,8H2,1H3,(H,12,13)
InChIKeyBTKVLDRLYQYZBR-UHFFFAOYSA-N
XLogP0.58
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.58
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

4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 102821699
N-[4-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 54922638
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
CID 102821632
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
ethyl 3-[[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]propanoate
CID 102821599
1-ethyl-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 102821143
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide (CID 102821679) is N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(C#CCCO)ccn1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is BTKVLDRLYQYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-17(15,16)13-11-9-10(6-7-12-11)5-3-4-8-14/h6-7,9,14H,2,4,8H2,1H3,(H,12,13).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide?
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 102821679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).