1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C7H6ClFN2O3S2 — CID 168715796

IUPAC1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(Cl)s1
InChIInChI=1S/C7H6ClFN2O3S2/c8-5-2-10-7(15-5)11-3-4(1-6(11)12)16(9,13)14/h2,4H,1,3H2
InChIKeyRMKWWAISCLTJBO-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.20
Rot. Bonds2

About 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715796) has the molecular formula C7H6ClFN2O3S2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715796
Molecular FormulaC7H6ClFN2O3S2
Molecular Weight284.72 g/mol
Exact Mass283.95
IUPAC Name1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ncc(Cl)s1
InChIInChI=1S/C7H6ClFN2O3S2/c8-5-2-10-7(15-5)11-3-4(1-6(11)12)16(9,13)14/h2,4H,1,3H2
InChIKeyRMKWWAISCLTJBO-UHFFFAOYSA-N
XLogP1.20
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715796) is 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ncc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is RMKWWAISCLTJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O3S2/c8-5-2-10-7(15-5)11-3-4(1-6(11)12)16(9,13)14/h2,4H,1,3H2.
What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 284.72 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).