potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate

C10H11ClKN3O4S — CID 23675544

IUPACpotassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate
SMILESO=S(=O)([O-])/N=N/c1ccc(N2CCOCC2)cc1Cl.[K+]
InChIInChI=1S/C10H12ClN3O4S.K/c11-9-7-8(14-3-5-18-6-4-14)1-2-10(9)12-13-19(15,16)17;/h1-2,7H,3-6H2,(H,15,16,17);/q;+1/p-1/b13-12+;
InChIKeyMLLPIXAVZCPOKR-UEIGIMKUSA-M
MW343.83 g/mol
LogP-1.28
Rot. Bonds3

About potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate

potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate (PubChem CID 23675544) has the molecular formula C10H11ClKN3O4S and a molecular weight of 343.83 g/mol. Its IUPAC name is potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate.

Molecular Properties

Compound Namepotassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate
PubChem CID23675544
Molecular FormulaC10H11ClKN3O4S
Molecular Weight343.83 g/mol
Exact Mass342.98
IUPAC Namepotassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate
SMILESO=S(=O)([O-])/N=N/c1ccc(N2CCOCC2)cc1Cl.[K+]
InChIInChI=1S/C10H12ClN3O4S.K/c11-9-7-8(14-3-5-18-6-4-14)1-2-10(9)12-13-19(15,16)17;/h1-2,7H,3-6H2,(H,15,16,17);/q;+1/p-1/b13-12+;
InChIKeyMLLPIXAVZCPOKR-UEIGIMKUSA-M
XLogP-1.28
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 5-1.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate?
The IUPAC name of potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate (CID 23675544) is potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate.
What is the SMILES notation for potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate?
The canonical SMILES for potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate is O=S(=O)([O-])/N=N/c1ccc(N2CCOCC2)cc1Cl.[K+].
What is the InChIKey of potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate?
The InChIKey is MLLPIXAVZCPOKR-UEIGIMKUSA-M. The full InChI is InChI=1S/C10H12ClN3O4S.K/c11-9-7-8(14-3-5-18-6-4-14)1-2-10(9)12-13-19(15,16)17;/h1-2,7H,3-6H2,(H,15,16,17);/q;+1/p-1/b13-12+;.
What are the key properties of potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate?
potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate has a molecular weight of 343.83 g/mol, XLogP of -1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(2-chloro-4-morpholin-4-ylphenyl)iminosulfamate is sourced from PubChem (CID 23675544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).