4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride

C11H7ClFNO3S — CID 82375190

IUPAC4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride
SMILESO=C(c1c[nH]c(S(=O)(=O)Cl)c1)c1ccccc1F
InChIInChI=1S/C11H7ClFNO3S/c12-18(16,17)10-5-7(6-14-10)11(15)8-3-1-2-4-9(8)13/h1-6,14H
InChIKeyOUXPVDHFKODAGR-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride

4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride (PubChem CID 82375190) has the molecular formula C11H7ClFNO3S and a molecular weight of 287.70 g/mol. Its IUPAC name is 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride
PubChem CID82375190
Molecular FormulaC11H7ClFNO3S
Molecular Weight287.70 g/mol
Exact Mass286.98
IUPAC Name4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride
SMILESO=C(c1c[nH]c(S(=O)(=O)Cl)c1)c1ccccc1F
InChIInChI=1S/C11H7ClFNO3S/c12-18(16,17)10-5-7(6-14-10)11(15)8-3-1-2-4-9(8)13/h1-6,14H
InChIKeyOUXPVDHFKODAGR-UHFFFAOYSA-N
XLogP2.31
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride?
The IUPAC name of 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride (CID 82375190) is 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride.
What is the SMILES notation for 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride?
The canonical SMILES for 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride is O=C(c1c[nH]c(S(=O)(=O)Cl)c1)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride?
The InChIKey is OUXPVDHFKODAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3S/c12-18(16,17)10-5-7(6-14-10)11(15)8-3-1-2-4-9(8)13/h1-6,14H.
What are the key properties of 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride?
4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride has a molecular weight of 287.70 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzoyl)-1H-pyrrole-2-sulfonyl chloride is sourced from PubChem (CID 82375190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).