4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide

C14H13N3O4S2 — CID 21230099

IUPAC4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H13N3O4S2/c1-15-22(18,19)11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)23(20,21)17-14/h2-9,15H,1H3,(H,16,17)
InChIKeyTZLAJDYFOMKCJJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.16
Rot. Bonds3

About 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide

4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 21230099) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
PubChem CID21230099
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H13N3O4S2/c1-15-22(18,19)11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)23(20,21)17-14/h2-9,15H,1H3,(H,16,17)
InChIKeyTZLAJDYFOMKCJJ-UHFFFAOYSA-N
XLogP1.16
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide 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 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide (CID 21230099) is 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is TZLAJDYFOMKCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-15-22(18,19)11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)23(20,21)17-14/h2-9,15H,1H3,(H,16,17).
What are the key properties of 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide?
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 351.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 21230099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).