N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

C17H18N2O2S — CID 733224

IUPACN-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCCc1cccc(CC)c1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-3-12-8-7-9-13(4-2)16(12)18-17-14-10-5-6-11-15(14)22(20,21)19-17/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyHBDPZLCPLZDYQX-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.37
Rot. Bonds3

About N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine

N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 733224) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID733224
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCCc1cccc(CC)c1NC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H18N2O2S/c1-3-12-8-7-9-13(4-2)16(12)18-17-14-10-5-6-11-15(14)22(20,21)19-17/h5-11H,3-4H2,1-2H3,(H,18,19)
InChIKeyHBDPZLCPLZDYQX-UHFFFAOYSA-N
XLogP3.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.37
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
(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-o-tolyl-amine
CID 730903
N-[N-(2-ethylphenyl)-2,2,2-trifluoroethanimidoyl]benzenesulfonamide
CID 5557781
N-[3-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine 1,1-dioxide
CID 716638
N-mesityl-1,2-benzisothiazol-3-amine 1,1-dioxide
CID 733262
{4-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl}acetonitrile
CID 4151004
N-(Phenyl-P-tolylamino-methylene)-benzenesulfonamide
CID 5664146
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8195490
N-(2,5-dimethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 894505
1,1-dioxo-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-amine
CID 1096301
3-(2-Methyl-2,3-dihydroindol-1-yl)-1,2-benzothiazole 1,1-dioxide
CID 2998751

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 733224) is N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is CCc1cccc(CC)c1NC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is HBDPZLCPLZDYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-3-12-8-7-9-13(4-2)16(12)18-17-14-10-5-6-11-15(14)22(20,21)19-17/h5-11H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 314.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 733224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).