4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

C14H17NO4S2 — CID 90496588

IUPAC4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H17NO4S2/c1-2-19-12-3-5-13(6-4-12)21(17,18)15-9-14(16)11-7-8-20-10-11/h3-8,10,14-16H,2,9H2,1H3
InChIKeyDBTVOXRJEJFIIY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.16
Rot. Bonds7

About 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide

4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 90496588) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID90496588
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC Name4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H17NO4S2/c1-2-19-12-3-5-13(6-4-12)21(17,18)15-9-14(16)11-7-8-20-10-11/h3-8,10,14-16H,2,9H2,1H3
InChIKeyDBTVOXRJEJFIIY-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
3,4-difluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 103916544
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethoxybenzenesulfonamide
CID 63298619
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114188652
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
CID 103916548
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
CID 102846389

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide (CID 90496588) is 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is DBTVOXRJEJFIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-2-19-12-3-5-13(6-4-12)21(17,18)15-9-14(16)11-7-8-20-10-11/h3-8,10,14-16H,2,9H2,1H3.
What are the key properties of 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide?
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).