N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide

C11H15N3O6S2 — CID 91205248

IUPACN-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(N2C=C(O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H15N3O6S2/c1-2-21(17,18)12-6-8-3-4-9(10(15)5-8)14-7-11(16)13-22(14,19)20/h3-5,7,12-13,15-16H,2,6H2,1H3
InChIKeyOXSIGEZQPRFISZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.16
Rot. Bonds5

About N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide

N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide (PubChem CID 91205248) has the molecular formula C11H15N3O6S2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide
PubChem CID91205248
Molecular FormulaC11H15N3O6S2
Molecular Weight349.39 g/mol
Exact Mass349.04
IUPAC NameN-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1ccc(N2C=C(O)NS2(=O)=O)c(O)c1
InChIInChI=1S/C11H15N3O6S2/c1-2-21(17,18)12-6-8-3-4-9(10(15)5-8)14-7-11(16)13-22(14,19)20/h3-5,7,12-13,15-16H,2,6H2,1H3
InChIKeyOXSIGEZQPRFISZ-UHFFFAOYSA-N
XLogP-0.16
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide (CID 91205248) is N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1ccc(N2C=C(O)NS2(=O)=O)c(O)c1.
What is the InChIKey of N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide?
The InChIKey is OXSIGEZQPRFISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S2/c1-2-21(17,18)12-6-8-3-4-9(10(15)5-8)14-7-11(16)13-22(14,19)20/h3-5,7,12-13,15-16H,2,6H2,1H3.
What are the key properties of N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide?
N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide is sourced from PubChem (CID 91205248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).