N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide

C6H6ClN3O2S — CID 166448226

IUPACN-[(2-chloro-4-pyridinyl)imino]methanesulfonamide
SMILESCS(=O)(=O)/N=N/c1ccnc(Cl)c1
InChIInChI=1S/C6H6ClN3O2S/c1-13(11,12)10-9-5-2-3-8-6(7)4-5/h2-4H,1H3/b10-9+
InChIKeyRDEINVOGJOPUKO-MDZDMXLPSA-N
MW219.65 g/mol
LogP1.78
Rot. Bonds2

About N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide

N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide (PubChem CID 166448226) has the molecular formula C6H6ClN3O2S and a molecular weight of 219.65 g/mol. Its IUPAC name is N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-pyridinyl)imino]methanesulfonamide
PubChem CID166448226
Molecular FormulaC6H6ClN3O2S
Molecular Weight219.65 g/mol
Exact Mass218.99
IUPAC NameN-[(2-chloro-4-pyridinyl)imino]methanesulfonamide
SMILESCS(=O)(=O)/N=N/c1ccnc(Cl)c1
InChIInChI=1S/C6H6ClN3O2S/c1-13(11,12)10-9-5-2-3-8-6(7)4-5/h2-4H,1H3/b10-9+
InChIKeyRDEINVOGJOPUKO-MDZDMXLPSA-N
XLogP1.78
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide?
The IUPAC name of N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide (CID 166448226) is N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide?
The canonical SMILES for N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide is CS(=O)(=O)/N=N/c1ccnc(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide?
The InChIKey is RDEINVOGJOPUKO-MDZDMXLPSA-N. The full InChI is InChI=1S/C6H6ClN3O2S/c1-13(11,12)10-9-5-2-3-8-6(7)4-5/h2-4H,1H3/b10-9+.
What are the key properties of N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide?
N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide has a molecular weight of 219.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-pyridinyl)imino]methanesulfonamide is sourced from PubChem (CID 166448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).