3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide

C12H14N2O2S2 — CID 66352299

IUPAC3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1N
InChIInChI=1S/C12H14N2O2S2/c1-2-9-3-4-11(7-12(9)13)18(15,16)14-10-5-6-17-8-10/h3-8,14H,2,13H2,1H3
InChIKeyQXBNCIFNOUFDJG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.69
Rot. Bonds4

About 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide

3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66352299) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66352299
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccsc2)cc1N
InChIInChI=1S/C12H14N2O2S2/c1-2-9-3-4-11(7-12(9)13)18(15,16)14-10-5-6-17-8-10/h3-8,14H,2,13H2,1H3
InChIKeyQXBNCIFNOUFDJG-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide (CID 66352299) is 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccsc2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is QXBNCIFNOUFDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-2-9-3-4-11(7-12(9)13)18(15,16)14-10-5-6-17-8-10/h3-8,14H,2,13H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide?
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66352299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).