N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide

C10H14FN3O4S2 — CID 122161269

IUPACN-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide
SMILESCN1c2ccc(F)cc2N(CCNS(C)(=O)=O)S1(=O)=O
InChIInChI=1S/C10H14FN3O4S2/c1-13-9-4-3-8(11)7-10(9)14(20(13,17)18)6-5-12-19(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyMWOYXRYBUVGLEQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.12
Rot. Bonds4

About N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide

N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide (PubChem CID 122161269) has the molecular formula C10H14FN3O4S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide
PubChem CID122161269
Molecular FormulaC10H14FN3O4S2
Molecular Weight323.37 g/mol
Exact Mass323.04
IUPAC NameN-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide
SMILESCN1c2ccc(F)cc2N(CCNS(C)(=O)=O)S1(=O)=O
InChIInChI=1S/C10H14FN3O4S2/c1-13-9-4-3-8(11)7-10(9)14(20(13,17)18)6-5-12-19(2,15)16/h3-4,7,12H,5-6H2,1-2H3
InChIKeyMWOYXRYBUVGLEQ-UHFFFAOYSA-N
XLogP-0.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide (CID 122161269) is N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide is CN1c2ccc(F)cc2N(CCNS(C)(=O)=O)S1(=O)=O.
What is the InChIKey of N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide?
The InChIKey is MWOYXRYBUVGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O4S2/c1-13-9-4-3-8(11)7-10(9)14(20(13,17)18)6-5-12-19(2,15)16/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide?
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 122161269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).