4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide

C16H13FN2O2S — CID 10471014

IUPAC4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)
InChIKeyGOJNWJGEIYVWOM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.93
Rot. Bonds3

About 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide

4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide (PubChem CID 10471014) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide
PubChem CID10471014
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21)
InChIKeyGOJNWJGEIYVWOM-UHFFFAOYSA-N
XLogP2.93
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide (CID 10471014) is 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cccc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide?
The InChIKey is GOJNWJGEIYVWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-13-5-3-12(4-6-13)16-2-1-11-19(16)14-7-9-15(10-8-14)22(18,20)21/h1-11H,(H2,18,20,21).
What are the key properties of 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide?
4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide has a molecular weight of 316.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10471014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).