N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide

C13H17NO3S — CID 102154017

IUPACN-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C#CCCCO
InChIInChI=1S/C13H17NO3S/c1-2-14-18(16,17)13-10-6-5-9-12(13)8-4-3-7-11-15/h5-6,9-10,14-15H,2-3,7,11H2,1H3
InChIKeyFXTYOIOCWICKMF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.11
Rot. Bonds5

About N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide

N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide (PubChem CID 102154017) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide
PubChem CID102154017
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1C#CCCCO
InChIInChI=1S/C13H17NO3S/c1-2-14-18(16,17)13-10-6-5-9-12(13)8-4-3-7-11-15/h5-6,9-10,14-15H,2-3,7,11H2,1H3
InChIKeyFXTYOIOCWICKMF-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide (CID 102154017) is N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1C#CCCCO.
What is the InChIKey of N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide?
The InChIKey is FXTYOIOCWICKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-14-18(16,17)13-10-6-5-9-12(13)8-4-3-7-11-15/h5-6,9-10,14-15H,2-3,7,11H2,1H3.
What are the key properties of N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide?
N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-hydroxypent-1-ynyl)benzenesulfonamide is sourced from PubChem (CID 102154017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).