2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide

C14H19NO4S — CID 63246486

IUPAC2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCc1ccccc1C#CCO
InChIInChI=1S/C14H19NO4S/c1-2-19-10-11-20(17,18)15-12-14-7-4-3-6-13(14)8-5-9-16/h3-4,6-7,15-16H,2,9-12H2,1H3
InChIKeyIZZXKYRVUKZNHK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds7

About 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide

2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide (PubChem CID 63246486) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide
PubChem CID63246486
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCc1ccccc1C#CCO
InChIInChI=1S/C14H19NO4S/c1-2-19-10-11-20(17,18)15-12-14-7-4-3-6-13(14)8-5-9-16/h3-4,6-7,15-16H,2,9-12H2,1H3
InChIKeyIZZXKYRVUKZNHK-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
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

2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 65436088
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-2-ethoxyethanesulfonamide
CID 63246262
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]ethanesulfonamide
CID 63246620
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]oxane-4-sulfonamide
CID 62048459
N-[[4-(aminomethyl)phenyl]methyl]-2-ethoxyethanesulfonamide
CID 63245940
2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119353239
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-ethoxyethanesulfonamide
CID 81281029
N-(2-ethoxyethyl)-2-(3-hydroxyprop-1-ynyl)-4-methylbenzenesulfonamide
CID 60844392
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxy-N-methylpropanamide
CID 55091735
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110409686
4-[2-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]but-3-yn-1-ol
CID 63691389
ethane;3-[2-(3-hydroxyprop-1-ynyl)phenyl]prop-2-yn-1-ol
CID 142610234

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide (CID 63246486) is 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide is CCOCCS(=O)(=O)NCc1ccccc1C#CCO.
What is the InChIKey of 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide?
The InChIKey is IZZXKYRVUKZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-10-11-20(17,18)15-12-14-7-4-3-6-13(14)8-5-9-16/h3-4,6-7,15-16H,2,9-12H2,1H3.
What are the key properties of 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide?
2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 63246486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).