2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

C12H16FN3O3S — CID 76978995

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O3S/c13-9-5-1-2-7-11(9)20(18,19)16-10-6-3-4-8(10)12(14)15-17/h1-2,5,7-8,10,16-17H,3-4,6H2,(H2,14,15)
InChIKeyQMGXDHAAVKKSMJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.02
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76978995) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76978995
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O3S/c13-9-5-1-2-7-11(9)20(18,19)16-10-6-3-4-8(10)12(14)15-17/h1-2,5,7-8,10,16-17H,3-4,6H2,(H2,14,15)
InChIKeyQMGXDHAAVKKSMJ-UHFFFAOYSA-N
XLogP1.02
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
2-[(2,3-difluorophenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71997271
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
2-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 60722057
N'-hydroxy-2-(sulfamoylamino)cyclopentane-1-carboximidamide
CID 104985778
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353
trans-(1R,2R)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001354
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (CID 76978995) is 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is QMGXDHAAVKKSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-9-5-1-2-7-11(9)20(18,19)16-10-6-3-4-8(10)12(14)15-17/h1-2,5,7-8,10,16-17H,3-4,6H2,(H2,14,15).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 301.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76978995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).