4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide

C16H13FN2O2S — CID 2768249

IUPAC4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-3-9-16(10-4-13)22(20,21)18-14-5-7-15(8-6-14)19-11-1-2-12-19/h1-12,18H
InChIKeyLANCQLMYCLGXFY-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.42
Rot. Bonds4

About 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide

4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide (PubChem CID 2768249) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide
PubChem CID2768249
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c17-13-3-9-16(10-4-13)22(20,21)18-14-5-7-15(8-6-14)19-11-1-2-12-19/h1-12,18H
InChIKeyLANCQLMYCLGXFY-UHFFFAOYSA-N
XLogP3.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide (CID 2768249) is 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
The InChIKey is LANCQLMYCLGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-13-3-9-16(10-4-13)22(20,21)18-14-5-7-15(8-6-14)19-11-1-2-12-19/h1-12,18H.
What are the key properties of 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide?
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide has a molecular weight of 316.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyrrol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2768249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).