N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine

C9H8ClN3O3S — CID 134101605

IUPACN-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)(=O)N=C1Nc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,12)
InChIKeyMZFUXGHIYFUJOT-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.45
Rot. Bonds1

About N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine

N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine (PubChem CID 134101605) has the molecular formula C9H8ClN3O3S and a molecular weight of 273.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
PubChem CID134101605
Molecular FormulaC9H8ClN3O3S
Molecular Weight273.70 g/mol
Exact Mass273.00
IUPAC NameN-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine
SMILESCOC1=NS(=O)(=O)N=C1Nc1ccc(Cl)cc1
InChIInChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,12)
InChIKeyMZFUXGHIYFUJOT-UHFFFAOYSA-N
XLogP1.45
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine (CID 134101605) is N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine is COC1=NS(=O)(=O)N=C1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
The InChIKey is MZFUXGHIYFUJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S/c1-16-9-8(12-17(14,15)13-9)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,12).
What are the key properties of N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine?
N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine has a molecular weight of 273.70 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 134101605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).