2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide

C10H13FN4O3S — CID 103302905

IUPAC2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESN/C(=N/O)C(NS(=O)(=O)c1ncccc1F)C1CC1
InChIInChI=1S/C10H13FN4O3S/c11-7-2-1-5-13-10(7)19(17,18)15-8(6-3-4-6)9(12)14-16/h1-2,5-6,8,15-16H,3-4H2,(H2,12,14)
InChIKeyIREKZHWBOUBMQC-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.02
Rot. Bonds5

About 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide

2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide (PubChem CID 103302905) has the molecular formula C10H13FN4O3S and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide
PubChem CID103302905
Molecular FormulaC10H13FN4O3S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide
SMILESN/C(=N/O)C(NS(=O)(=O)c1ncccc1F)C1CC1
InChIInChI=1S/C10H13FN4O3S/c11-7-2-1-5-13-10(7)19(17,18)15-8(6-3-4-6)9(12)14-16/h1-2,5-6,8,15-16H,3-4H2,(H2,12,14)
InChIKeyIREKZHWBOUBMQC-UHFFFAOYSA-N
XLogP0.02
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.02
H-Bond Donors ≤ 53
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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Related Compounds

3-Fluoropyridine-2-sulfonamide
CID 19957930
N-cyclopropylpyridine-3-sulfonamide
CID 25343313
N-(1,1-Dimethylethyl)-2-fluoro-3-pyridinesulfonamide
CID 14305409
N-cyclopropyl-6-fluoropyridine-2-sulfonamide
CID 15729545
N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
CID 66730657
N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 66730687
N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 123286777
N-tert-butyl-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 123751647
5-fluoro-N-methylpyridine-2-sulfonamide
CID 146509267
N-ethyl-5-fluoropyridine-2-sulfonamide
CID 167033938
(3R,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 170598968
(3R,4R)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 170598969

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide (CID 103302905) is 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide is N/C(=N/O)C(NS(=O)(=O)c1ncccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide?
The InChIKey is IREKZHWBOUBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O3S/c11-7-2-1-5-13-10(7)19(17,18)15-8(6-3-4-6)9(12)14-16/h1-2,5-6,8,15-16H,3-4H2,(H2,12,14).
What are the key properties of 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide?
2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide has a molecular weight of 288.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 103302905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).