(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C15H17Cl2N3O3S — CID 99827482

IUPAC(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)cn1
InChIInChI=1S/C15H17Cl2N3O3S/c1-2-19-9-11(8-18-19)15-10-20(3-4-23-15)24(21,22)14-6-12(16)5-13(17)7-14/h5-9,15H,2-4,10H2,1H3/t15-/m0/s1
InChIKeyQFTGSUHOOFRPEQ-HNNXBMFYSA-N
MW390.29 g/mol
LogP2.97
Rot. Bonds4

About (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 99827482) has the molecular formula C15H17Cl2N3O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID99827482
Molecular FormulaC15H17Cl2N3O3S
Molecular Weight390.29 g/mol
Exact Mass389.04
IUPAC Name(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)cn1
InChIInChI=1S/C15H17Cl2N3O3S/c1-2-19-9-11(8-18-19)15-10-20(3-4-23-15)24(21,22)14-6-12(16)5-13(17)7-14/h5-9,15H,2-4,10H2,1H3/t15-/m0/s1
InChIKeyQFTGSUHOOFRPEQ-HNNXBMFYSA-N
XLogP2.97
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonylpyridin-2-amine
CID 129001445
(2R)-2-(1-ethylpyrazol-4-yl)-4-(4-propylphenyl)sulfonylmorpholine
CID 99827489
(2R)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400028
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400004
(2S)-2-(1-ethylpyrazol-4-yl)-4-(3-propan-2-ylphenyl)sulfonylmorpholine
CID 99827501
(2R)-4-(2-ethylphenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 99827504
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129001409
3-[2-(1-ethylpyrazol-4-yl)morpholin-4-yl]sulfonyl-4-methylbenzonitrile
CID 128999495
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 129400024
(2R)-2-(1-ethylpyrazol-4-yl)-4-[1-(2-methylpropyl)imidazol-4-yl]sulfonylmorpholine
CID 129400016
2-(1-ethylpyrazol-4-yl)-4-(oxolan-3-ylmethylsulfonyl)morpholine
CID 129000221
4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129001054

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 99827482) is (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc([C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CCO2)cn1.
What is the InChIKey of (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is QFTGSUHOOFRPEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3S/c1-2-19-9-11(8-18-19)15-10-20(3-4-23-15)24(21,22)14-6-12(16)5-13(17)7-14/h5-9,15H,2-4,10H2,1H3/t15-/m0/s1.
What are the key properties of (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 390.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,5-dichlorophenyl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 99827482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).