N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide

C15H21NO4S — CID 61447355

IUPACN-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H21NO4S/c1-3-16(11-13-20-2)21(18,19)15-10-5-4-8-14(15)9-6-7-12-17/h4-5,8,10,17H,3,7,11-13H2,1-2H3
InChIKeyHFVLQBHWOCFLTM-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.08
Rot. Bonds7

About N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide

N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61447355) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61447355
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccccc1C#CCCO
InChIInChI=1S/C15H21NO4S/c1-3-16(11-13-20-2)21(18,19)15-10-5-4-8-14(15)9-6-7-12-17/h4-5,8,10,17H,3,7,11-13H2,1-2H3
InChIKeyHFVLQBHWOCFLTM-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61384582
2-(3-aminoprop-1-ynyl)-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54880356
2-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63692385
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60845298
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82937866
2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986078
2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
4-[2-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 82960795
2-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926762
2-chloro-N-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 61447355) is N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide is CCN(CCOC)S(=O)(=O)c1ccccc1C#CCCO.
What is the InChIKey of N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is HFVLQBHWOCFLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-16(11-13-20-2)21(18,19)15-10-5-4-8-14(15)9-6-7-12-17/h4-5,8,10,17H,3,7,11-13H2,1-2H3.
What are the key properties of N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide?
N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61447355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).