1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

C11H15FN4O3S — CID 103302859

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESN/C(=N/O)C1(NS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C11H15FN4O3S/c12-8-4-3-7-14-9(8)20(18,19)16-11(10(13)15-17)5-1-2-6-11/h3-4,7,16-17H,1-2,5-6H2,(H2,13,15)
InChIKeyAPAMCHPQMRRTPO-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.56
Rot. Bonds4

About 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 103302859) has the molecular formula C11H15FN4O3S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID103302859
Molecular FormulaC11H15FN4O3S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESN/C(=N/O)C1(NS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C11H15FN4O3S/c12-8-4-3-7-14-9(8)20(18,19)16-11(10(13)15-17)5-1-2-6-11/h3-4,7,16-17H,1-2,5-6H2,(H2,13,15)
InChIKeyAPAMCHPQMRRTPO-UHFFFAOYSA-N
XLogP0.56
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.56
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

1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837
3-fluoro-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103300453
3-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-sulfonamide
CID 103300487
N-[1-(aminomethyl)cyclobutyl]-3-fluoropyridine-2-sulfonamide
CID 103308604
N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 103308349
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
N'-hydroxy-1-[(2-methylphenyl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77077380
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
2-cyclopropyl-2-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxyethanimidamide
CID 103302905
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960
N'-hydroxy-1-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]cyclohexane-1-carboximidamide
CID 77021110
N'-hydroxy-1-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]cycloheptane-1-carboximidamide
CID 77021112

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (CID 103302859) is 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is N/C(=N/O)C1(NS(=O)(=O)c2ncccc2F)CCCC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is APAMCHPQMRRTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3S/c12-8-4-3-7-14-9(8)20(18,19)16-11(10(13)15-17)5-1-2-6-11/h3-4,7,16-17H,1-2,5-6H2,(H2,13,15).
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 302.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 103302859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).