4-thiophen-2-ylsulfonylnaphthalen-1-amine

C14H11NO2S2 — CID 68517696

IUPAC4-thiophen-2-ylsulfonylnaphthalen-1-amine
SMILESNc1ccc(S(=O)(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C14H11NO2S2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19(16,17)14-6-3-9-18-14/h1-9H,15H2
InChIKeyOSABLVLGVBXNRR-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.32
Rot. Bonds2

About 4-thiophen-2-ylsulfonylnaphthalen-1-amine

4-thiophen-2-ylsulfonylnaphthalen-1-amine (PubChem CID 68517696) has the molecular formula C14H11NO2S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-thiophen-2-ylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound Name4-thiophen-2-ylsulfonylnaphthalen-1-amine
PubChem CID68517696
Molecular FormulaC14H11NO2S2
Molecular Weight289.38 g/mol
Exact Mass289.02
IUPAC Name4-thiophen-2-ylsulfonylnaphthalen-1-amine
SMILESNc1ccc(S(=O)(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C14H11NO2S2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19(16,17)14-6-3-9-18-14/h1-9H,15H2
InChIKeyOSABLVLGVBXNRR-UHFFFAOYSA-N
XLogP3.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
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-thiophen-2-ylsulfonylnaphthalen-1-amine?
The IUPAC name of 4-thiophen-2-ylsulfonylnaphthalen-1-amine (CID 68517696) is 4-thiophen-2-ylsulfonylnaphthalen-1-amine.
What is the SMILES notation for 4-thiophen-2-ylsulfonylnaphthalen-1-amine?
The canonical SMILES for 4-thiophen-2-ylsulfonylnaphthalen-1-amine is Nc1ccc(S(=O)(=O)c2cccs2)c2ccccc12.
What is the InChIKey of 4-thiophen-2-ylsulfonylnaphthalen-1-amine?
The InChIKey is OSABLVLGVBXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S2/c15-12-7-8-13(11-5-2-1-4-10(11)12)19(16,17)14-6-3-9-18-14/h1-9H,15H2.
What are the key properties of 4-thiophen-2-ylsulfonylnaphthalen-1-amine?
4-thiophen-2-ylsulfonylnaphthalen-1-amine has a molecular weight of 289.38 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 68517696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).