MEFRUSIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C03BA05
UNII: X1NS9SNS92

Structure
InChI Key SMNOERSLNYGGOU-UHFFFAOYSA-N
Smile CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChI
InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19ClN2O5S2
Molecular Weight 382.89
AlogP 1.18
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 106.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31809
ChEMBL CHEMBL2105131
DrugBank DB13405
DrugCentral 1666
EPA CompTox DTXSID0048844
FDA SRS X1NS9SNS92
PubChem 4047
SureChEMBL SCHEMBL49118
CONTENTS