N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide

C9H11N3O4S3 — CID 3240195

IUPACN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide
SMILESCc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C9H11N3O4S3/c1-6-4-5-7-8(11-17-10-7)9(6)12(18(2,13)14)19(3,15)16/h4-5H,1-3H3
InChIKeyDSRNDXPEDYIAPB-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.73
Rot. Bonds3

About N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide

N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide (PubChem CID 3240195) has the molecular formula C9H11N3O4S3 and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide
PubChem CID3240195
Molecular FormulaC9H11N3O4S3
Molecular Weight321.41 g/mol
Exact Mass320.99
IUPAC NameN-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide
SMILESCc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C9H11N3O4S3/c1-6-4-5-7-8(11-17-10-7)9(6)12(18(2,13)14)19(3,15)16/h4-5H,1-3H3
InChIKeyDSRNDXPEDYIAPB-UHFFFAOYSA-N
XLogP0.73
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide 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-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide (CID 3240195) is N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide is Cc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide?
The InChIKey is DSRNDXPEDYIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4S3/c1-6-4-5-7-8(11-17-10-7)9(6)12(18(2,13)14)19(3,15)16/h4-5H,1-3H3.
What are the key properties of N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide?
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 3240195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).