4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide

C12H16ClN3O3S — CID 105361632

IUPAC4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H16ClN3O3S/c13-8-5-6-10(12(14)15-17)11(7-8)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyOWJSRKZXPPDYGZ-UHFFFAOYSA-N
MW317.80 g/mol
LogP2.12
Rot. Bonds4

About 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide

4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide (PubChem CID 105361632) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
PubChem CID105361632
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H16ClN3O3S/c13-8-5-6-10(12(14)15-17)11(7-8)16-20(18,19)9-3-1-2-4-9/h5-7,9,16-17H,1-4H2,(H2,14,15)
InChIKeyOWJSRKZXPPDYGZ-UHFFFAOYSA-N
XLogP2.12
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide (CID 105361632) is 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
The InChIKey is OWJSRKZXPPDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c13-8-5-6-10(12(14)15-17)11(7-8)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-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide has a molecular weight of 317.80 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylsulfonylamino)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 105361632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).