4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine

C16H13NO2S2 — CID 139925797

IUPAC4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine
SMILESNc1cscc1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13NO2S2/c17-15-11-20-10-14(15)13-8-4-5-9-16(13)21(18,19)12-6-2-1-3-7-12/h1-11H,17H2
InChIKeySRHSPCIPZCNSND-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.83
Rot. Bonds3

About 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine

4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine (PubChem CID 139925797) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine.

Molecular Properties

Compound Name4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine
PubChem CID139925797
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine
SMILESNc1cscc1-c1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13NO2S2/c17-15-11-20-10-14(15)13-8-4-5-9-16(13)21(18,19)12-6-2-1-3-7-12/h1-11H,17H2
InChIKeySRHSPCIPZCNSND-UHFFFAOYSA-N
XLogP3.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine?
The IUPAC name of 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine (CID 139925797) is 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine.
What is the SMILES notation for 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine?
The canonical SMILES for 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine is Nc1cscc1-c1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine?
The InChIKey is SRHSPCIPZCNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c17-15-11-20-10-14(15)13-8-4-5-9-16(13)21(18,19)12-6-2-1-3-7-12/h1-11H,17H2.
What are the key properties of 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine?
4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine has a molecular weight of 315.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonyl)phenyl]thiophen-3-amine is sourced from PubChem (CID 139925797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).