methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate

C7H8ClN3O3S — CID 119084852

IUPACmethyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate
SMILESCO/C(N)=N/S(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C7H8ClN3O3S/c1-14-7(9)11-15(12,13)6-4-10-3-2-5(6)8/h2-4H,1H3,(H2,9,11)
InChIKeyGLIIFAKBOKUBCW-UHFFFAOYSA-N
MW249.68 g/mol
LogP0.38
Rot. Bonds2

About methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate

methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate (PubChem CID 119084852) has the molecular formula C7H8ClN3O3S and a molecular weight of 249.68 g/mol. Its IUPAC name is methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate.

Molecular Properties

Compound Namemethyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate
PubChem CID119084852
Molecular FormulaC7H8ClN3O3S
Molecular Weight249.68 g/mol
Exact Mass249.00
IUPAC Namemethyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate
SMILESCO/C(N)=N/S(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C7H8ClN3O3S/c1-14-7(9)11-15(12,13)6-4-10-3-2-5(6)8/h2-4H,1H3,(H2,9,11)
InChIKeyGLIIFAKBOKUBCW-UHFFFAOYSA-N
XLogP0.38
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate?
The IUPAC name of methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate (CID 119084852) is methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate.
What is the SMILES notation for methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate?
The canonical SMILES for methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate is CO/C(N)=N/S(=O)(=O)c1cnccc1Cl.
What is the InChIKey of methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate?
The InChIKey is GLIIFAKBOKUBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3S/c1-14-7(9)11-15(12,13)6-4-10-3-2-5(6)8/h2-4H,1H3,(H2,9,11).
What are the key properties of methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate?
methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate has a molecular weight of 249.68 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate is sourced from PubChem (CID 119084852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).