N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate

C13H11ClN3O3S- — CID 2683443

IUPACN-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate
SMILESC/C([O-])=N\c1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)16-10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(14)15-8-12/h2-8,17H,1H3,(H,16,18)/p-1
InChIKeyJYJLQNFVVVBDGB-UHFFFAOYSA-M
MW324.77 g/mol
LogP1.95
Rot. Bonds4

About N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate

N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate (PubChem CID 2683443) has the molecular formula C13H11ClN3O3S- and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate.

Molecular Properties

Compound NameN-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate
PubChem CID2683443
Molecular FormulaC13H11ClN3O3S-
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC NameN-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate
SMILESC/C([O-])=N\c1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H12ClN3O3S/c1-9(18)16-10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(14)15-8-12/h2-8,17H,1H3,(H,16,18)/p-1
InChIKeyJYJLQNFVVVBDGB-UHFFFAOYSA-M
XLogP1.95
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]urea
CID 36510490
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
6-chloro-N-(3-ethynylphenyl)pyridine-3-sulfonamide
CID 24689721
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
6-chloro-N-(3-morpholin-4-ylphenyl)pyridine-3-sulfonamide
CID 110423235
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
CID 2683694
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
6-amino-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 115375852
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
CID 4875200

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate?
The IUPAC name of N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate (CID 2683443) is N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate.
What is the SMILES notation for N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate?
The canonical SMILES for N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate is C/C([O-])=N\c1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate?
The InChIKey is JYJLQNFVVVBDGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12ClN3O3S/c1-9(18)16-10-3-2-4-11(7-10)17-21(19,20)12-5-6-13(14)15-8-12/h2-8,17H,1H3,(H,16,18)/p-1.
What are the key properties of N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate?
N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate has a molecular weight of 324.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]ethanimidate is sourced from PubChem (CID 2683443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).