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

C13H8Cl2N2O2S — CID 691376

IUPACN-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/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)
InChIKeyGTFVZKQWNOGSGT-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.55
Rot. Bonds1

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

N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 691376) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID691376
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC NameN-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESO=S1(=O)N=C(Nc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/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)
InChIKeyGTFVZKQWNOGSGT-UHFFFAOYSA-N
XLogP3.55
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 2301891
N-(3,4-dichlorophenyl)-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzenesulfonamide
CID 17308266
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
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine
CID 847805
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate
CID 30427705
1-N-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 2290434
1,4-bis(2,5-dichloroanilino)anthracene-9,10-dione
CID 21489849
1,1-dioxo-N-(1,3-thiazol-2-yl)-1,2-benzothiazol-3-amine
CID 4770387
2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
CID 71607189
[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-methylbenzoate
CID 1007502
N-[4-(4-chlorophenoxy)butyl]-4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzamide
CID 31676926

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CID 691376) is N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is O=S1(=O)N=C(Nc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is GTFVZKQWNOGSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/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-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 327.19 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 691376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).