1H-pyrrole-2-sulfonyl fluoride

C4H4FNO2S — CID 122163232

IUPAC1H-pyrrole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc[nH]1
InChIInChI=1S/C4H4FNO2S/c5-9(7,8)4-2-1-3-6-4/h1-3,6H
InChIKeyHPJHRBLPTCWNSS-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.67
Rot. Bonds1

About 1H-pyrrole-2-sulfonyl fluoride

1H-pyrrole-2-sulfonyl fluoride (PubChem CID 122163232) has the molecular formula C4H4FNO2S and a molecular weight of 149.15 g/mol. Its IUPAC name is 1H-pyrrole-2-sulfonyl fluoride.

Molecular Properties

Compound Name1H-pyrrole-2-sulfonyl fluoride
PubChem CID122163232
Molecular FormulaC4H4FNO2S
Molecular Weight149.15 g/mol
Exact Mass148.99
IUPAC Name1H-pyrrole-2-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc[nH]1
InChIInChI=1S/C4H4FNO2S/c5-9(7,8)4-2-1-3-6-4/h1-3,6H
InChIKeyHPJHRBLPTCWNSS-UHFFFAOYSA-N
XLogP0.67
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2-sulfonyl fluoride?
The IUPAC name of 1H-pyrrole-2-sulfonyl fluoride (CID 122163232) is 1H-pyrrole-2-sulfonyl fluoride.
What is the SMILES notation for 1H-pyrrole-2-sulfonyl fluoride?
The canonical SMILES for 1H-pyrrole-2-sulfonyl fluoride is O=S(=O)(F)c1ccc[nH]1.
What is the InChIKey of 1H-pyrrole-2-sulfonyl fluoride?
The InChIKey is HPJHRBLPTCWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FNO2S/c5-9(7,8)4-2-1-3-6-4/h1-3,6H.
What are the key properties of 1H-pyrrole-2-sulfonyl fluoride?
1H-pyrrole-2-sulfonyl fluoride has a molecular weight of 149.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2-sulfonyl fluoride is sourced from PubChem (CID 122163232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).