4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 43763574

IUPAC4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCc1cccs1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O2S2/c1-11(16-9-8-13-3-2-10-19-13)12-4-6-14(7-5-12)20(15,17)18/h2-7,10-11,16H,8-9H2,1H3,(H2,15,17,18)
InChIKeyXMDIVJDJFHIYFR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.29
Rot. Bonds6

About 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide

4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide (PubChem CID 43763574) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
PubChem CID43763574
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
SMILESCC(NCCc1cccs1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H18N2O2S2/c1-11(16-9-8-13-3-2-10-19-13)12-4-6-14(7-5-12)20(15,17)18/h2-7,10-11,16H,8-9H2,1H3,(H2,15,17,18)
InChIKeyXMDIVJDJFHIYFR-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
4-[1-(2-methylsulfinylethylamino)ethyl]benzenesulfonamide
CID 115898464
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
4-[1-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 43426324
4-[1-[2-(dimethylamino)ethylamino]ethyl]benzenesulfonamide
CID 43754787
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
4-[1-[(3-aminothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 66386535

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide (CID 43763574) is 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide is CC(NCCc1cccs1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide?
The InChIKey is XMDIVJDJFHIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(16-9-8-13-3-2-10-19-13)12-4-6-14(7-5-12)20(15,17)18/h2-7,10-11,16H,8-9H2,1H3,(H2,15,17,18).
What are the key properties of 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide?
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43763574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).