5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide

C12H16FN3O3S — CID 105361609

IUPAC5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(NS(=O)(=O)C2CCCC2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c13-11-6-5-8(7-10(11)12(14)15-17)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyGNCJOLNDSFUYOC-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.60
Rot. Bonds4

About 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide

5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 105361609) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID105361609
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1cc(NS(=O)(=O)C2CCCC2)ccc1F
InChIInChI=1S/C12H16FN3O3S/c13-11-6-5-8(7-10(11)12(14)15-17)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyGNCJOLNDSFUYOC-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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

2-fluoro-N'-hydroxy-5-(oxan-4-ylsulfonylamino)benzenecarboximidamide
CID 76939387
2-fluoro-N'-hydroxy-5-(sulfamoylamino)benzenecarboximidamide
CID 114959563
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
2-[4-(cyclopentylsulfonylamino)phenyl]-N'-hydroxyethanimidamide
CID 105361608
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
3-(cyclopentylsulfonylamino)benzenecarbothioamide
CID 105361104
3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
3-(cyclohexylsulfonylamino)benzenecarbothioamide
CID 61066190
N-[4-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylpropanamide
CID 62317574

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 105361609) is 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1cc(NS(=O)(=O)C2CCCC2)ccc1F.
What is the InChIKey of 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is GNCJOLNDSFUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-11-6-5-8(7-10(11)12(14)15-17)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15).
What are the key properties of 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide?
5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 301.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 105361609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).