N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide

C14H19NO4S — CID 60844392

IUPACN-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C)cc1C#CCO
InChIInChI=1S/C14H19NO4S/c1-3-19-10-8-15-20(17,18)14-7-6-12(2)11-13(14)5-4-9-16/h6-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyVCIOWLHSONIYFR-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.65
Rot. Bonds6

About N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide

N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide (PubChem CID 60844392) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
PubChem CID60844392
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(C)cc1C#CCO
InChIInChI=1S/C14H19NO4S/c1-3-19-10-8-15-20(17,18)14-7-6-12(2)11-13(14)5-4-9-16/h6-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyVCIOWLHSONIYFR-UHFFFAOYSA-N
XLogP0.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 54926813
N-[2-[[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfonylamino]ethyl]acetamide
CID 60844582
2-amino-N-(2-ethoxyethyl)-4-methylbenzenesulfonamide
CID 43590960
N-(2,3-dimethylbutyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 64598283
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-4-fluorobenzenesulfonamide
CID 60846049
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823324
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 60824572
3-[2-(2-ethoxyethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 60800596
N-(2-ethoxyethyl)-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 60844907
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
4-(2-ethoxyethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997779
3-[2-(2-ethylsulfonylethoxy)-5-methylphenyl]prop-2-yn-1-ol
CID 54914350

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide (CID 60844392) is N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide is CCOCCNS(=O)(=O)c1ccc(C)cc1C#CCO.
What is the InChIKey of N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide?
The InChIKey is VCIOWLHSONIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-10-8-15-20(17,18)14-7-6-12(2)11-13(14)5-4-9-16/h6-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide?
N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 60844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).