[acetamido(sulfino)amino]benzene

C8H10N2O3S — CID 57120653

IUPAC[acetamido(sulfino)amino]benzene
SMILESCC(=O)NN(c1ccccc1)S(=O)O
InChIInChI=1S/C8H10N2O3S/c1-7(11)9-10(14(12)13)8-5-3-2-4-6-8/h2-6H,1H3,(H,9,11)(H,12,13)
InChIKeyZBUHTRRUXKAFEF-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.68
Rot. Bonds3

About [acetamido(sulfino)amino]benzene

[acetamido(sulfino)amino]benzene (PubChem CID 57120653) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is [acetamido(sulfino)amino]benzene.

Molecular Properties

Compound Name[acetamido(sulfino)amino]benzene
PubChem CID57120653
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name[acetamido(sulfino)amino]benzene
SMILESCC(=O)NN(c1ccccc1)S(=O)O
InChIInChI=1S/C8H10N2O3S/c1-7(11)9-10(14(12)13)8-5-3-2-4-6-8/h2-6H,1H3,(H,9,11)(H,12,13)
InChIKeyZBUHTRRUXKAFEF-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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[N-(disulfinocarbamoyl)anilino]benzene
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1-acetamido-1-phenylguanidine
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N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
CID 69241188
CID 69241188
N'-acetyl-N'-benzylacetohydrazide
CID 23198251
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
acetamido N-methyl-N-phenylcarbamate
CID 155295151
1-[(carboxyamino)-sulfinatoamino]-4-methylbenzene
CID 57043895
(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
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N-acetyl-3-oxo-N-phenylbutanamide
CID 88604895

Frequently Asked Questions

What is the IUPAC name of [acetamido(sulfino)amino]benzene?
The IUPAC name of [acetamido(sulfino)amino]benzene (CID 57120653) is [acetamido(sulfino)amino]benzene.
What is the SMILES notation for [acetamido(sulfino)amino]benzene?
The canonical SMILES for [acetamido(sulfino)amino]benzene is CC(=O)NN(c1ccccc1)S(=O)O.
What is the InChIKey of [acetamido(sulfino)amino]benzene?
The InChIKey is ZBUHTRRUXKAFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-7(11)9-10(14(12)13)8-5-3-2-4-6-8/h2-6H,1H3,(H,9,11)(H,12,13).
What are the key properties of [acetamido(sulfino)amino]benzene?
[acetamido(sulfino)amino]benzene has a molecular weight of 214.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [acetamido(sulfino)amino]benzene is sourced from PubChem (CID 57120653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).