4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine

C9H14ClN3O3S — CID 2777120

IUPAC4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H14ClN3O3S/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyMNFRXXGOMFQWNH-UHFFFAOYSA-N
MW279.75 g/mol
LogP0.40
Rot. Bonds2

About 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine

4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine (PubChem CID 2777120) has the molecular formula C9H14ClN3O3S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine
PubChem CID2777120
Molecular FormulaC9H14ClN3O3S
Molecular Weight279.75 g/mol
Exact Mass279.04
IUPAC Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H14ClN3O3S/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyMNFRXXGOMFQWNH-UHFFFAOYSA-N
XLogP0.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine?
The IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine (CID 2777120) is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine?
The canonical SMILES for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine?
The InChIKey is MNFRXXGOMFQWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S/c1-7-8(9(10)12(2)11-7)17(14,15)13-3-5-16-6-4-13/h3-6H2,1-2H3.
What are the key properties of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine?
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine has a molecular weight of 279.75 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylmorpholine is sourced from PubChem (CID 2777120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).