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

C13H8F2N2O2S — CID 171344810

IUPACN-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C13H8F2N2O2S/c14-8-5-6-10(15)11(7-8)16-13-9-3-1-2-4-12(9)20(18,19)17-13/h1-7H,(H,16,17)
InChIKeyLCYFUYZHUPYZBQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.53
Rot. Bonds1

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

N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 171344810) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID171344810
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC NameN-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2cc(F)ccc2F)c2ccccc21
InChIInChI=1S/C13H8F2N2O2S/c14-8-5-6-10(15)11(7-8)16-13-9-3-1-2-4-12(9)20(18,19)17-13/h1-7H,(H,16,17)
InChIKeyLCYFUYZHUPYZBQ-UHFFFAOYSA-N
XLogP2.53
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 691376
1,1-dioxo-N-[2-(trifluoromethyl)phenyl]-1,2-benzothiazol-3-amine
CID 716643
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 733227
1-N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 2290434
1,1-dioxo-N-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine
CID 4905675
1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine
CID 4770387
[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-methylbenzoate
CID 1007502
3-(2,5-difluorophenyl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 177307914
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 55520252
2-(2,5-difluoroanilino)phenol
CID 82537391
N-(2,5-difluorophenyl)quinolin-2-amine
CID 82536785
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
CID 71607189

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 171344810) is N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is O=S1(=O)N=C(Nc2cc(F)ccc2F)c2ccccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is LCYFUYZHUPYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-8-5-6-10(15)11(7-8)16-13-9-3-1-2-4-12(9)20(18,19)17-13/h1-7H,(H,16,17).
What are the key properties of N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 294.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 171344810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).