3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide

C14H19N3O2S2 — CID 43534380

IUPAC3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-10(14-5-4-8-20-14)16-13-7-6-11(9-12(13)15)21(18,19)17(2)3/h4-10,16H,15H2,1-3H3
InChIKeyWYBIYNXDOQMVJZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.75
Rot. Bonds5

About 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide

3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide (PubChem CID 43534380) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
PubChem CID43534380
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)c1cccs1
InChIInChI=1S/C14H19N3O2S2/c1-10(14-5-4-8-20-14)16-13-7-6-11(9-12(13)15)21(18,19)17(2)3/h4-10,16H,15H2,1-3H3
InChIKeyWYBIYNXDOQMVJZ-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide (CID 43534380) is 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide is CC(Nc1ccc(S(=O)(=O)N(C)C)cc1N)c1cccs1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
The InChIKey is WYBIYNXDOQMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(14-5-4-8-20-14)16-13-7-6-11(9-12(13)15)21(18,19)17(2)3/h4-10,16H,15H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide?
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(1-thiophen-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 43534380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).