5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride

C5H3ClF3NO2S — CID 86812179

IUPAC5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C5H3ClF3NO2S/c6-13(11,12)3-1-4(10-2-3)5(7,8)9/h1-2,10H
InChIKeyCTQQTTGHSLGKOX-UHFFFAOYSA-N
MW233.60 g/mol
LogP1.96
Rot. Bonds1

About 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride

5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride (PubChem CID 86812179) has the molecular formula C5H3ClF3NO2S and a molecular weight of 233.60 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride
PubChem CID86812179
Molecular FormulaC5H3ClF3NO2S
Molecular Weight233.60 g/mol
Exact Mass232.95
IUPAC Name5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C5H3ClF3NO2S/c6-13(11,12)3-1-4(10-2-3)5(7,8)9/h1-2,10H
InChIKeyCTQQTTGHSLGKOX-UHFFFAOYSA-N
XLogP1.96
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride (CID 86812179) is 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride is O=S(=O)(Cl)c1c[nH]c(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is CTQQTTGHSLGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NO2S/c6-13(11,12)3-1-4(10-2-3)5(7,8)9/h1-2,10H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride?
5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 233.60 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 86812179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).