4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide

C12H16FN3O3S — CID 105361639

IUPAC4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C12H16FN3O3S/c13-10-7-8(12(14)15-17)5-6-11(10)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyAXAHUEHXMRUIMC-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.60
Rot. Bonds4

About 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 105361639) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID105361639
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(NS(=O)(=O)C2CCCC2)c(F)c1
InChIInChI=1S/C12H16FN3O3S/c13-10-7-8(12(14)15-17)5-6-11(10)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyAXAHUEHXMRUIMC-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

3-chloro-4-(cyclohexylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 107810036
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 105361632
5-(cyclopentylsulfonylamino)-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361609
4-chloro-2-(cyclopropylsulfonylamino)-N'-hydroxybenzenecarboximidamide
CID 77050486
4-[(cyclopentylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77030237
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
CID 82501901
3-fluoro-N'-hydroxy-4-methylsulfonylbenzenecarboximidamide
CID 123200565
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
3-amino-4-(cyclohexylsulfonylamino)benzoic acid
CID 63117178
4-[(cyclopropylsulfamoylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 114812348
4-(cyclopentylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76982852
3-fluoro-N'-hydroxy-4-sulfamoylbenzenecarboximidamide
CID 76644653

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 105361639) is 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(NS(=O)(=O)C2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is AXAHUEHXMRUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-10-7-8(12(14)15-17)5-6-11(10)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 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(cyclopentylsulfonylamino)-3-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 4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 105361639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).