N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

C15H14N2O2S — CID 716656

IUPACN-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1cc(C)cc(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H14N2O2S/c1-10-7-11(2)9-12(8-10)16-15-13-5-3-4-6-14(13)20(18,19)17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIWFSXVSDGKRWFX-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.86
Rot. Bonds1

About N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 716656) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID716656
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1cc(C)cc(NC2=NS(=O)(=O)c3ccccc32)c1
InChIInChI=1S/C15H14N2O2S/c1-10-7-11(2)9-12(8-10)16-15-13-5-3-4-6-14(13)20(18,19)17-15/h3-9H,1-2H3,(H,16,17)
InChIKeyIWFSXVSDGKRWFX-UHFFFAOYSA-N
XLogP2.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 2220129
1,1-dioxo-N-phenyl-1,2-benzothiazol-3-amine
CID 686902
3-((2-(Pyrrolidin-1-yl)phenyl)amino)benzo[d]isothiazole 1,1-dioxide
CID 4905675
(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-o-tolyl-amine
CID 730903
6-nitro-1,1-dioxo-N-(3-propan-2-ylphenyl)-1,2-benzothiazol-3-amine
CID 90643930
N-(2,4-difluorophenyl)-4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 5883356
N-(2,4-difluorophenyl)-N'-(phenylsulfonyl)benzenecarboximidamide
CID 5886354
N-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 716638
N-(3-methylphenyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine
CID 610243
N-mesityl-1,2-benzisothiazol-3-amine 1,1-dioxide
CID 733262
6-Nitro-3-(phenylamino)benzo[d]1,2-thiazole-1,1-dione
CID 4645817
{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetonitrile
CID 4151004

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 716656) is N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is Cc1cc(C)cc(NC2=NS(=O)(=O)c3ccccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is IWFSXVSDGKRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-7-11(2)9-12(8-10)16-15-13-5-3-4-6-14(13)20(18,19)17-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 286.36 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 716656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).