4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide

C16H12FNO2S2 — CID 18400189

IUPAC4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-10-21-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)
InChIKeyZLHDOXPADGPKBN-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.87
Rot. Bonds3

About 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide (PubChem CID 18400189) has the molecular formula C16H12FNO2S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide
PubChem CID18400189
Molecular FormulaC16H12FNO2S2
Molecular Weight333.41 g/mol
Exact Mass333.03
IUPAC Name4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-10-21-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)
InChIKeyZLHDOXPADGPKBN-UHFFFAOYSA-N
XLogP3.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide (CID 18400189) is 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2sccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide?
The InChIKey is ZLHDOXPADGPKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-10-21-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20).
What are the key properties of 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)thiophen-2-yl]benzenesulfonamide is sourced from PubChem (CID 18400189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).