4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine

C15H18ClN3O4S — CID 139003080

IUPAC4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
SMILESCOCc1cc(Cl)cc(S(=O)(=O)N2CCOc3c2c(C)nn3C)c1
InChIInChI=1S/C15H18ClN3O4S/c1-10-14-15(18(2)17-10)23-5-4-19(14)24(20,21)13-7-11(9-22-3)6-12(16)8-13/h6-8H,4-5,9H2,1-3H3
InChIKeyDQWASHXGMNPODR-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.12
Rot. Bonds4

About 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine

4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine (PubChem CID 139003080) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
PubChem CID139003080
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
SMILESCOCc1cc(Cl)cc(S(=O)(=O)N2CCOc3c2c(C)nn3C)c1
InChIInChI=1S/C15H18ClN3O4S/c1-10-14-15(18(2)17-10)23-5-4-19(14)24(20,21)13-7-11(9-22-3)6-12(16)8-13/h6-8H,4-5,9H2,1-3H3
InChIKeyDQWASHXGMNPODR-UHFFFAOYSA-N
XLogP2.12
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The IUPAC name of 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine (CID 139003080) is 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine.
What is the SMILES notation for 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The canonical SMILES for 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine is COCc1cc(Cl)cc(S(=O)(=O)N2CCOc3c2c(C)nn3C)c1.
What is the InChIKey of 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
The InChIKey is DQWASHXGMNPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-10-14-15(18(2)17-10)23-5-4-19(14)24(20,21)13-7-11(9-22-3)6-12(16)8-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine?
4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine has a molecular weight of 371.85 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine is sourced from PubChem (CID 139003080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).