3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide

C14H13ClN2O3S — CID 2819006

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyJEBLYWBMDYPQRL-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.41
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide

3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 2819006) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
PubChem CID2819006
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17)
InChIKeyJEBLYWBMDYPQRL-UHFFFAOYSA-N
XLogP2.41
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.41
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 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide (CID 2819006) is 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JEBLYWBMDYPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16)17-18/h1-8,18H,9H2,(H2,16,17).
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide?
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 324.79 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 2819006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).