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

C10H13ClF3N3O3S — CID 95553157

IUPAC(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@H](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/t7-/m0/s1
InChIKeyFSAPJUIIPQKHRA-ZETCQYMHSA-N
MW347.75 g/mol
LogP1.33
Rot. Bonds2

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

(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (PubChem CID 95553157) has the molecular formula C10H13ClF3N3O3S and a molecular weight of 347.75 g/mol. Its IUPAC name is (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
PubChem CID95553157
Molecular FormulaC10H13ClF3N3O3S
Molecular Weight347.75 g/mol
Exact Mass347.03
IUPAC Name(2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@H](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/t7-/m0/s1
InChIKeyFSAPJUIIPQKHRA-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The IUPAC name of (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine (CID 95553157) is (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine.
What is the SMILES notation for (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The canonical SMILES for (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
The InChIKey is FSAPJUIIPQKHRA-ZETCQYMHSA-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/t7-/m0/s1.
What are the key properties of (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine?
(2S)-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 (2S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 95553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).