4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine

C10H13ClF3N3O3S — CID 56873287

IUPAC4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C10H13ClF3N3O3S/c1-6-8(9(11)16(2)15-6)21(18,19)17-3-4-20-7(5-17)10(12,13)14/h7H,3-5H2,1-2H3
InChIKeyFSAPJUIIPQKHRA-UHFFFAOYSA-N
MW347.75 g/mol
LogP1.33
Rot. Bonds2

About 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine

4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (PubChem CID 56873287) has the molecular formula C10H13ClF3N3O3S and a molecular weight of 347.75 g/mol. Its IUPAC name is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
PubChem CID56873287
Molecular FormulaC10H13ClF3N3O3S
Molecular Weight347.75 g/mol
Exact Mass347.03
IUPAC Name4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C10H13ClF3N3O3S/c1-6-8(9(11)16(2)15-6)21(18,19)17-3-4-20-7(5-17)10(12,13)14/h7H,3-5H2,1-2H3
InChIKeyFSAPJUIIPQKHRA-UHFFFAOYSA-N
XLogP1.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 53599465
5-Chloro-1,3-dimethyl-4-(3-propan-2-yloxyazetidin-1-yl)sulfonylpyrazole
CID 132313094
4-{[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}-2,6-dimethylmorpholine
CID 19614779
(2R,6S)-4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 51853523
(2R,6R)-4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 51853524
(2S,6S)-4-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-2,6-dimethylmorpholine
CID 51853525
4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)sulfonyl]-2-(trifluoromethyl)morpholine
CID 56917710
(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95553157
(2R)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95553158
(2S)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95563535
(2R)-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
CID 95563536
4-[(5-Chloro-1,3-Dimethyl-1H-Pyrazol-4-Yl)Sulfonyl]Morpholine
CID 2777120

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (CID 56873287) is 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The InChIKey is FSAPJUIIPQKHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O3S/c1-6-8(9(11)16(2)15-6)21(18,19)17-3-4-20-7(5-17)10(12,13)14/h7H,3-5H2,1-2H3.
What are the key properties of 4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine has a molecular weight of 347.75 g/mol, XLogP of 1.33, 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)sulfonyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56873287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).