4-amino-N-thiophen-3-ylbenzenesulfonamide

C10H10N2O2S2 — CID 66351658

IUPAC4-amino-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccsc2)cc1
InChIInChI=1S/C10H10N2O2S2/c11-8-1-3-10(4-2-8)16(13,14)12-9-5-6-15-7-9/h1-7,12H,11H2
InChIKeyFFWKDQKEFGMVLT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.13
Rot. Bonds3

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

4-amino-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66351658) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-amino-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66351658
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name4-amino-N-thiophen-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccsc2)cc1
InChIInChI=1S/C10H10N2O2S2/c11-8-1-3-10(4-2-8)16(13,14)12-9-5-6-15-7-9/h1-7,12H,11H2
InChIKeyFFWKDQKEFGMVLT-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-thiophen-3-ylbenzenesulfonamide (CID 66351658) is 4-amino-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-thiophen-3-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccsc2)cc1.
What is the InChIKey of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is FFWKDQKEFGMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c11-8-1-3-10(4-2-8)16(13,14)12-9-5-6-15-7-9/h1-7,12H,11H2.
What are the key properties of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
4-amino-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 254.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66351658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).