2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol

C14H17NO3S2 — CID 102846389

IUPAC2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
SMILESCCS(=O)(=O)c1ccc(NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H17NO3S2/c1-2-20(17,18)13-5-3-12(4-6-13)15-9-14(16)11-7-8-19-10-11/h3-8,10,14-16H,2,9H2,1H3
InChIKeyQGBSVMGCLKYLRE-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.69
Rot. Bonds6

About 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol

2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol (PubChem CID 102846389) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
PubChem CID102846389
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol
SMILESCCS(=O)(=O)c1ccc(NCC(O)c2ccsc2)cc1
InChIInChI=1S/C14H17NO3S2/c1-2-20(17,18)13-5-3-12(4-6-13)15-9-14(16)11-7-8-19-10-11/h3-8,10,14-16H,2,9H2,1H3
InChIKeyQGBSVMGCLKYLRE-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
CID 167820242
3-amino-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]benzenesulfonamide
CID 106434544
(1S)-1-(2-chlorophenyl)-2-(4-ethylsulfonylanilino)ethanol
CID 100664216
1-(4-ethylsulfonylanilino)-4,4-dimethylpentan-2-ol
CID 102846374
4-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496588
N-(2-hydroxy-2-thiophen-3-ylethyl)butane-1-sulfonamide
CID 103916548
2-[[6-(ethylamino)-2-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 106436357
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropane-1-sulfonamide
CID 103916531
2-[[5-(methylamino)-3-pyridinyl]amino]-1-thiophen-3-ylethanol
CID 114188661
2-[[6-(ethylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188665

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol?
The IUPAC name of 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol (CID 102846389) is 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol?
The canonical SMILES for 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol is CCS(=O)(=O)c1ccc(NCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol?
The InChIKey is QGBSVMGCLKYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-2-20(17,18)13-5-3-12(4-6-13)15-9-14(16)11-7-8-19-10-11/h3-8,10,14-16H,2,9H2,1H3.
What are the key properties of 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol?
2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol has a molecular weight of 311.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylanilino)-1-thiophen-3-ylethanol is sourced from PubChem (CID 102846389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).