2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

C14H11N3O3S — CID 733227

IUPAC2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESNC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H11N3O3S/c15-13(18)9-5-1-3-7-11(9)16-14-10-6-2-4-8-12(10)21(19,20)17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyRBBYVNVBAQRAQI-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.35
Rot. Bonds2

About 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide

2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (PubChem CID 733227) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
PubChem CID733227
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
SMILESNC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H11N3O3S/c15-13(18)9-5-1-3-7-11(9)16-14-10-6-2-4-8-12(10)21(19,20)17-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyRBBYVNVBAQRAQI-UHFFFAOYSA-N
XLogP1.35
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2,4-dichlorobenzoate
CID 75537571
N-(2-amino-2-oxo-1-phenylethyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 55492519
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-propan-2-ylbenzamide
CID 18107944
[(2S)-3-oxobutan-2-yl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 30669023
2-(chloroamino)benzamide
CID 54562633
N-(2,5-dimethylpyrrol-1-yl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 79107428
(3-methyloxetan-3-yl)methyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 47590217
N-(4-aminocyclohexyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 119477085
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-methylbenzenesulfonamide
CID 21230099
N-[1-(aminomethyl)cyclopentyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 119566915
N-(3-chloro-4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 2301891
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The IUPAC name of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide (CID 733227) is 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The canonical SMILES for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is NC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
The InChIKey is RBBYVNVBAQRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c15-13(18)9-5-1-3-7-11(9)16-14-10-6-2-4-8-12(10)21(19,20)17-14/h1-8H,(H2,15,18)(H,16,17).
What are the key properties of 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide?
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide has a molecular weight of 301.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide is sourced from PubChem (CID 733227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).