1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole

C17H14FNO2S — CID 175170999

IUPAC1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H14FNO2S/c1-13-11-17(15-9-5-6-10-16(15)18)19(12-13)22(20,21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyGUYWQQASIROXRK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.84
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole

1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole (PubChem CID 175170999) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole
PubChem CID175170999
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole
SMILESCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H14FNO2S/c1-13-11-17(15-9-5-6-10-16(15)18)19(12-13)22(20,21)14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyGUYWQQASIROXRK-UHFFFAOYSA-N
XLogP3.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole?
The IUPAC name of 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole (CID 175170999) is 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole is Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole?
The InChIKey is GUYWQQASIROXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-13-11-17(15-9-5-6-10-16(15)18)19(12-13)22(20,21)14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole?
1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole has a molecular weight of 315.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole is sourced from PubChem (CID 175170999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).