1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride

C10H11Cl2FN2O2S — CID 90199245

IUPAC1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C10H11Cl2FN2O2S/c11-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)18(12,16)17/h5-7H,1-4H2
InChIKeyDYONTURSWYUNJI-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.41
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride

1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride (PubChem CID 90199245) has the molecular formula C10H11Cl2FN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride
PubChem CID90199245
Molecular FormulaC10H11Cl2FN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.99
IUPAC Name1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCN(c2c(F)cncc2Cl)CC1
InChIInChI=1S/C10H11Cl2FN2O2S/c11-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)18(12,16)17/h5-7H,1-4H2
InChIKeyDYONTURSWYUNJI-UHFFFAOYSA-N
XLogP2.41
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride?
The IUPAC name of 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride (CID 90199245) is 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride is O=S(=O)(Cl)C1CCN(c2c(F)cncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride?
The InChIKey is DYONTURSWYUNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FN2O2S/c11-8-5-14-6-9(13)10(8)15-3-1-7(2-4-15)18(12,16)17/h5-7H,1-4H2.
What are the key properties of 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride?
1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride has a molecular weight of 313.18 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-pyridinyl)piperidine-4-sulfonyl chloride is sourced from PubChem (CID 90199245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).