N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide

C7H7BrClN3O2S — CID 139215405

IUPACN'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide
SMILESC/C(N)=N\S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C7H7BrClN3O2S/c1-4(10)12-15(13,14)6-2-5(8)3-11-7(6)9/h2-3H,1H3,(H2,10,12)
InChIKeyLVNMENCSKJEERR-UHFFFAOYSA-N
MW312.58 g/mol
LogP1.56
Rot. Bonds2

About N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide

N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide (PubChem CID 139215405) has the molecular formula C7H7BrClN3O2S and a molecular weight of 312.58 g/mol. Its IUPAC name is N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide
PubChem CID139215405
Molecular FormulaC7H7BrClN3O2S
Molecular Weight312.58 g/mol
Exact Mass310.91
IUPAC NameN'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide
SMILESC/C(N)=N\S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C7H7BrClN3O2S/c1-4(10)12-15(13,14)6-2-5(8)3-11-7(6)9/h2-3H,1H3,(H2,10,12)
InChIKeyLVNMENCSKJEERR-UHFFFAOYSA-N
XLogP1.56
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.58
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]oxyacetamide
CID 107856770
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-4-methylpentanoate
CID 61060736
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide
CID 107856647
5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
5-bromo-2-chloro-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 61300253

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide?
The IUPAC name of N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide (CID 139215405) is N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide.
What is the SMILES notation for N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide?
The canonical SMILES for N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide is C/C(N)=N\S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide?
The InChIKey is LVNMENCSKJEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3O2S/c1-4(10)12-15(13,14)6-2-5(8)3-11-7(6)9/h2-3H,1H3,(H2,10,12).
What are the key properties of N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide?
N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide has a molecular weight of 312.58 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]ethanimidamide is sourced from PubChem (CID 139215405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).