4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide

C18H17FN2O2S — CID 90757858

IUPAC4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2cccc(F)c2)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O2S/c1-13-5-10-18(15-3-2-4-16(19)11-15)21(13)12-14-6-8-17(9-7-14)24(20,22)23/h2-11H,12H2,1H3,(H2,20,22,23)
InChIKeyFKOLPJGVYNDATC-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.30
Rot. Bonds4

About 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide

4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide (PubChem CID 90757858) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide
PubChem CID90757858
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide
SMILESCc1ccc(-c2cccc(F)c2)n1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H17FN2O2S/c1-13-5-10-18(15-3-2-4-16(19)11-15)21(13)12-14-6-8-17(9-7-14)24(20,22)23/h2-11H,12H2,1H3,(H2,20,22,23)
InChIKeyFKOLPJGVYNDATC-UHFFFAOYSA-N
XLogP3.30
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide (CID 90757858) is 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide is Cc1ccc(-c2cccc(F)c2)n1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide?
The InChIKey is FKOLPJGVYNDATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-13-5-10-18(15-3-2-4-16(19)11-15)21(13)12-14-6-8-17(9-7-14)24(20,22)23/h2-11H,12H2,1H3,(H2,20,22,23).
What are the key properties of 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide?
4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)-5-methylpyrrol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90757858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).