N-(N-sulfonylcarbamimidoyl)benzamide

C8H7N3O3S — CID 140977847

IUPACN-(N-sulfonylcarbamimidoyl)benzamide
SMILES[H]/N=C(\N=S(=O)=O)NC(=O)c1ccccc1
InChIInChI=1S/C8H7N3O3S/c9-8(11-15(13)14)10-7(12)6-4-2-1-3-5-6/h1-5H,(H2,9,10,12)
InChIKeyLAGJGWGBDKKIQX-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.41
Rot. Bonds1

About N-(N-sulfonylcarbamimidoyl)benzamide

N-(N-sulfonylcarbamimidoyl)benzamide (PubChem CID 140977847) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is N-(N-sulfonylcarbamimidoyl)benzamide.

Molecular Properties

Compound NameN-(N-sulfonylcarbamimidoyl)benzamide
PubChem CID140977847
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC NameN-(N-sulfonylcarbamimidoyl)benzamide
SMILES[H]/N=C(\N=S(=O)=O)NC(=O)c1ccccc1
InChIInChI=1S/C8H7N3O3S/c9-8(11-15(13)14)10-7(12)6-4-2-1-3-5-6/h1-5H,(H2,9,10,12)
InChIKeyLAGJGWGBDKKIQX-UHFFFAOYSA-N
XLogP0.41
TPSA99.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.41
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'}

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Related Compounds

methyl N-benzoylcarbamimidothioate
CID 138962835
[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
CID 177438943
N-butanimidoylbenzamide
CID 174644030
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-methylbenzamide
CID 11954
N-carbamoylbenzamide;urea
CID 157303801
N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide
CID 165460031
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-(trifluoromethylcarbamoyl)benzamide
CID 154349389
N-(ethylcarbamoyl)benzamide
CID 23273840
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of N-(N-sulfonylcarbamimidoyl)benzamide?
The IUPAC name of N-(N-sulfonylcarbamimidoyl)benzamide (CID 140977847) is N-(N-sulfonylcarbamimidoyl)benzamide.
What is the SMILES notation for N-(N-sulfonylcarbamimidoyl)benzamide?
The canonical SMILES for N-(N-sulfonylcarbamimidoyl)benzamide is [H]/N=C(\N=S(=O)=O)NC(=O)c1ccccc1.
What is the InChIKey of N-(N-sulfonylcarbamimidoyl)benzamide?
The InChIKey is LAGJGWGBDKKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c9-8(11-15(13)14)10-7(12)6-4-2-1-3-5-6/h1-5H,(H2,9,10,12).
What are the key properties of N-(N-sulfonylcarbamimidoyl)benzamide?
N-(N-sulfonylcarbamimidoyl)benzamide has a molecular weight of 225.23 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-sulfonylcarbamimidoyl)benzamide is sourced from PubChem (CID 140977847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).