2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

C9H13FN4O3S — CID 76928201

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H13FN4O3S/c1-6(9(11)13-15)14(2)18(16,17)8-3-7(10)4-12-5-8/h3-6,15H,1-2H3,(H2,11,13)
InChIKeyJMQSHRBMGCPVKG-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.02
Rot. Bonds4

About 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide

2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 76928201) has the molecular formula C9H13FN4O3S and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID76928201
Molecular FormulaC9H13FN4O3S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C9H13FN4O3S/c1-6(9(11)13-15)14(2)18(16,17)8-3-7(10)4-12-5-8/h3-6,15H,1-2H3,(H2,11,13)
InChIKeyJMQSHRBMGCPVKG-UHFFFAOYSA-N
XLogP-0.02
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide (CID 76928201) is 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is JMQSHRBMGCPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O3S/c1-6(9(11)13-15)14(2)18(16,17)8-3-7(10)4-12-5-8/h3-6,15H,1-2H3,(H2,11,13).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide?
2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 276.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)sulfonyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76928201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).