N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide

C14H18N2O4S — CID 60814266

IUPACN-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#CCCO)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)15-21(18,19)16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2
InChIKeyBIZDBWHPYHJBMR-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.41
Rot. Bonds4

About N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide

N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide (PubChem CID 60814266) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
PubChem CID60814266
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C#CCCO)N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)15-21(18,19)16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2
InChIKeyBIZDBWHPYHJBMR-UHFFFAOYSA-N
XLogP0.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.41
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

2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83016802
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
CID 113271455
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-[2-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
CID 43606105
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 60813412
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
3-(4-hydroxybut-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
CID 83015256
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 60814440
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
2-(4-hydroxybut-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83015255
N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314
N-(2-hydroxy-4-methylphenyl)morpholine-4-sulfonamide
CID 43436716

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide (CID 60814266) is N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide is O=S(=O)(Nc1ccccc1C#CCCO)N1CCOCC1.
What is the InChIKey of N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide?
The InChIKey is BIZDBWHPYHJBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)15-21(18,19)16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2.
What are the key properties of N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide?
N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 60814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).