4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide

C12H16N2O3S — CID 82501901

IUPAC4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C12H16N2O3S/c13-12(14-15)9-5-7-11(8-6-9)18(16,17)10-3-1-2-4-10/h5-8,10,15H,1-4H2,(H2,13,14)
InChIKeyIJJZHRXEEFFARV-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.50
Rot. Bonds3

About 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide

4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide (PubChem CID 82501901) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
PubChem CID82501901
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C12H16N2O3S/c13-12(14-15)9-5-7-11(8-6-9)18(16,17)10-3-1-2-4-10/h5-8,10,15H,1-4H2,(H2,13,14)
InChIKeyIJJZHRXEEFFARV-UHFFFAOYSA-N
XLogP1.50
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide (CID 82501901) is 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide?
The InChIKey is IJJZHRXEEFFARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c13-12(14-15)9-5-7-11(8-6-9)18(16,17)10-3-1-2-4-10/h5-8,10,15H,1-4H2,(H2,13,14).
What are the key properties of 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide?
4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide has a molecular weight of 268.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82501901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).