3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide

C11H15N3O4S — CID 54934612

IUPAC3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)6-5-13-11(15)9-4-2-3-8(7-9)10(12)14-16/h2-4,7,16H,5-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyCJLDLKPJOYJWLN-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.44
Rot. Bonds5

About 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide

3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide (PubChem CID 54934612) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
PubChem CID54934612
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide
SMILESCS(=O)(=O)CCNC(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H15N3O4S/c1-19(17,18)6-5-13-11(15)9-4-2-3-8(7-9)10(12)14-16/h2-4,7,16H,5-6H2,1H3,(H2,12,14)(H,13,15)
InChIKeyCJLDLKPJOYJWLN-UHFFFAOYSA-N
XLogP-0.44
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)benzamide
CID 76996589
3-(N'-hydroxycarbamimidoyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 76947355
4-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfonylpropyl)benzamide
CID 76930247
3-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfanylpropyl)benzamide
CID 76996492
5-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55229447
N-(2-butoxyethyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 76928576
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 43156132
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
3-[(E)-N'-hydroxycarbamimidoyl]-N-[(4-propylphenyl)methyl]benzamide
CID 59959770
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106279641
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638
3-(3-aminopropylsulfamoyl)-N-(2-methylsulfonylethyl)benzamide
CID 77080072

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide (CID 54934612) is 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide is CS(=O)(=O)CCNC(=O)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is CJLDLKPJOYJWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-19(17,18)6-5-13-11(15)9-4-2-3-8(7-9)10(12)14-16/h2-4,7,16H,5-6H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide?
3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 285.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 54934612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).