N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide

C11H15N3O4S2 — CID 119101374

IUPACN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
SMILESCN1c2ccc(NS(=O)(=O)C3CC3)cc2N(C)S1(=O)=O
InChIInChI=1S/C11H15N3O4S2/c1-13-10-6-3-8(12-19(15,16)9-4-5-9)7-11(10)14(2)20(13,17)18/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyBVUCHVCHQDJZSP-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.72
Rot. Bonds3

About N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide

N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide (PubChem CID 119101374) has the molecular formula C11H15N3O4S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
PubChem CID119101374
Molecular FormulaC11H15N3O4S2
Molecular Weight317.39 g/mol
Exact Mass317.05
IUPAC NameN-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide
SMILESCN1c2ccc(NS(=O)(=O)C3CC3)cc2N(C)S1(=O)=O
InChIInChI=1S/C11H15N3O4S2/c1-13-10-6-3-8(12-19(15,16)9-4-5-9)7-11(10)14(2)20(13,17)18/h3,6-7,9,12H,4-5H2,1-2H3
InChIKeyBVUCHVCHQDJZSP-UHFFFAOYSA-N
XLogP0.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide (CID 119101374) is N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide is CN1c2ccc(NS(=O)(=O)C3CC3)cc2N(C)S1(=O)=O.
What is the InChIKey of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide?
The InChIKey is BVUCHVCHQDJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S2/c1-13-10-6-3-8(12-19(15,16)9-4-5-9)7-11(10)14(2)20(13,17)18/h3,6-7,9,12H,4-5H2,1-2H3.
What are the key properties of N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide?
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide has a molecular weight of 317.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)cyclopropanesulfonamide is sourced from PubChem (CID 119101374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).