[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol

C17H14FNO3S — CID 66924773

IUPAC[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1cc(CO)c(F)c1-c1ccccc1
InChIInChI=1S/C17H14FNO3S/c18-16-14(12-20)11-19(17(16)13-7-3-1-4-8-13)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2
InChIKeyAUMCXJOTWFDOQI-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.02
Rot. Bonds4

About [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol

[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol (PubChem CID 66924773) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol
PubChem CID66924773
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Name[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1cc(CO)c(F)c1-c1ccccc1
InChIInChI=1S/C17H14FNO3S/c18-16-14(12-20)11-19(17(16)13-7-3-1-4-8-13)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2
InChIKeyAUMCXJOTWFDOQI-UHFFFAOYSA-N
XLogP3.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol (CID 66924773) is [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol is O=S(=O)(c1ccccc1)n1cc(CO)c(F)c1-c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol?
The InChIKey is AUMCXJOTWFDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c18-16-14(12-20)11-19(17(16)13-7-3-1-4-8-13)23(21,22)15-9-5-2-6-10-15/h1-11,20H,12H2.
What are the key properties of [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol?
[1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol has a molecular weight of 331.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-4-fluoro-5-phenylpyrrol-3-yl]methanol is sourced from PubChem (CID 66924773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).