1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C7H7ClFN3O3S — CID 168715869

IUPAC1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1Cl
InChIInChI=1S/C7H7ClFN3O3S/c8-7-5(2-10-11-7)12-3-4(1-6(12)13)16(9,14)15/h2,4H,1,3H2,(H,10,11)
InChIKeyHWNDOGBXTFWTQO-UHFFFAOYSA-N
MW267.67 g/mol
LogP0.47
Rot. Bonds2

About 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715869) has the molecular formula C7H7ClFN3O3S and a molecular weight of 267.67 g/mol. Its IUPAC name is 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715869
Molecular FormulaC7H7ClFN3O3S
Molecular Weight267.67 g/mol
Exact Mass266.99
IUPAC Name1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1Cl
InChIInChI=1S/C7H7ClFN3O3S/c8-7-5(2-10-11-7)12-3-4(1-6(12)13)16(9,14)15/h2,4H,1,3H2,(H,10,11)
InChIKeyHWNDOGBXTFWTQO-UHFFFAOYSA-N
XLogP0.47
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715869) is 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1cn[nH]c1Cl.
What is the InChIKey of 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HWNDOGBXTFWTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3O3S/c8-7-5(2-10-11-7)12-3-4(1-6(12)13)16(9,14)15/h2,4H,1,3H2,(H,10,11).
What are the key properties of 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 267.67 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).