4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide

C15H19NO4S2 — CID 99981391

IUPAC4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1
InChIInChI=1S/C15H19NO4S2/c1-2-20-13-3-5-14(6-4-13)22(18,19)16-9-7-15(17)12-8-10-21-11-12/h3-6,8,10-11,15-17H,2,7,9H2,1H3/t15-/m0/s1
InChIKeyLOKGQVOSEFMBJI-HNNXBMFYSA-N
MW341.45 g/mol
LogP2.55
Rot. Bonds8

About 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide

4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide (PubChem CID 99981391) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
PubChem CID99981391
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC Name4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1
InChIInChI=1S/C15H19NO4S2/c1-2-20-13-3-5-14(6-4-13)22(18,19)16-9-7-15(17)12-8-10-21-11-12/h3-6,8,10-11,15-17H,2,7,9H2,1H3/t15-/m0/s1
InChIKeyLOKGQVOSEFMBJI-HNNXBMFYSA-N
XLogP2.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
4-fluoro-N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-methylbenzenesulfonamide
CID 99981347
3-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 86264143
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 121132245
N'-(4-ethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132291
N-(5-hydroxy-3-thiophen-3-ylpentyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 122160835
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
N-[4-[(3-hydroxy-3-thiophen-3-ylpropyl)sulfamoyl]-3-methylphenyl]propanamide
CID 121132251

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide (CID 99981391) is 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide?
The InChIKey is LOKGQVOSEFMBJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-2-20-13-3-5-14(6-4-13)22(18,19)16-9-7-15(17)12-8-10-21-11-12/h3-6,8,10-11,15-17H,2,7,9H2,1H3/t15-/m0/s1.
What are the key properties of 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide?
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide is sourced from PubChem (CID 99981391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).