(3-amino-2,6-dichlorophenyl) sulfamate

C6H6Cl2N2O3S — CID 23329879

IUPAC(3-amino-2,6-dichlorophenyl) sulfamate
SMILESNc1ccc(Cl)c(OS(N)(=O)=O)c1Cl
InChIInChI=1S/C6H6Cl2N2O3S/c7-3-1-2-4(9)5(8)6(3)13-14(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyZYFPOEFPOLHHPS-UHFFFAOYSA-N
MW257.10 g/mol
LogP1.16
Rot. Bonds2

About (3-amino-2,6-dichlorophenyl) sulfamate

(3-amino-2,6-dichlorophenyl) sulfamate (PubChem CID 23329879) has the molecular formula C6H6Cl2N2O3S and a molecular weight of 257.10 g/mol. Its IUPAC name is (3-amino-2,6-dichlorophenyl) sulfamate.

Molecular Properties

Compound Name(3-amino-2,6-dichlorophenyl) sulfamate
PubChem CID23329879
Molecular FormulaC6H6Cl2N2O3S
Molecular Weight257.10 g/mol
Exact Mass255.95
IUPAC Name(3-amino-2,6-dichlorophenyl) sulfamate
SMILESNc1ccc(Cl)c(OS(N)(=O)=O)c1Cl
InChIInChI=1S/C6H6Cl2N2O3S/c7-3-1-2-4(9)5(8)6(3)13-14(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyZYFPOEFPOLHHPS-UHFFFAOYSA-N
XLogP1.16
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-dichlorophenyl) sulfamate?
The IUPAC name of (3-amino-2,6-dichlorophenyl) sulfamate (CID 23329879) is (3-amino-2,6-dichlorophenyl) sulfamate.
What is the SMILES notation for (3-amino-2,6-dichlorophenyl) sulfamate?
The canonical SMILES for (3-amino-2,6-dichlorophenyl) sulfamate is Nc1ccc(Cl)c(OS(N)(=O)=O)c1Cl.
What is the InChIKey of (3-amino-2,6-dichlorophenyl) sulfamate?
The InChIKey is ZYFPOEFPOLHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O3S/c7-3-1-2-4(9)5(8)6(3)13-14(10,11)12/h1-2H,9H2,(H2,10,11,12).
What are the key properties of (3-amino-2,6-dichlorophenyl) sulfamate?
(3-amino-2,6-dichlorophenyl) sulfamate has a molecular weight of 257.10 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-dichlorophenyl) sulfamate is sourced from PubChem (CID 23329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).