N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide

C9H10N2O5S2 — CID 91928409

IUPACN-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)NC2=O
InChIInChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyIQGXFBWBHSRBEP-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.83
Rot. Bonds3

About N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide

N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide (PubChem CID 91928409) has the molecular formula C9H10N2O5S2 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide
PubChem CID91928409
Molecular FormulaC9H10N2O5S2
Molecular Weight290.32 g/mol
Exact Mass290.00
IUPAC NameN-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)NC2=O
InChIInChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyIQGXFBWBHSRBEP-UHFFFAOYSA-N
XLogP-0.83
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide 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-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide (CID 91928409) is N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)NC2=O.
What is the InChIKey of N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide?
The InChIKey is IQGXFBWBHSRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide?
N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide has a molecular weight of 290.32 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide is sourced from PubChem (CID 91928409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).