2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide

C14H18N2O4S — CID 83016802

IUPAC2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccccc1C#CCCO
InChIInChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)21(18,19)15-16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2
InChIKeyMPQKEWKJAJPZLN-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.05
Rot. Bonds4

About 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide

2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83016802) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83016802
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccccc1C#CCCO
InChIInChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)21(18,19)15-16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2
InChIKeyMPQKEWKJAJPZLN-UHFFFAOYSA-N
XLogP-0.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
2-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016568
N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
CID 60814266
2-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926762
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
3-(4-hydroxybut-1-ynyl)-2-methyl-N-morpholin-4-ylbenzamide
CID 83015256
2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
CID 60824893
2-(4-hydroxybut-1-ynyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 60824488
2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
2-(4-hydroxybut-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
CID 83015255
3-amino-2-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 83012919

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide (CID 83016802) is 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide is O=S(=O)(NN1CCOCC1)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is MPQKEWKJAJPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-10-4-3-6-13-5-1-2-7-14(13)21(18,19)15-16-8-11-20-12-9-16/h1-2,5,7,15,17H,4,8-12H2.
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide?
2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83016802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).