benzamido sulfite

C7H6NO4S- — CID 57230748

IUPACbenzamido sulfite
SMILESO=C(NOS(=O)[O-])c1ccccc1
InChIInChI=1S/C7H7NO4S/c9-7(8-12-13(10)11)6-4-2-1-3-5-6/h1-5H,(H,8,9)(H,10,11)/p-1
InChIKeyZWNDNBVTELULOG-UHFFFAOYSA-M
MW200.20 g/mol
LogP0.14
Rot. Bonds3

About benzamido sulfite

benzamido sulfite (PubChem CID 57230748) has the molecular formula C7H6NO4S- and a molecular weight of 200.20 g/mol. Its IUPAC name is benzamido sulfite.

Molecular Properties

Compound Namebenzamido sulfite
PubChem CID57230748
Molecular FormulaC7H6NO4S-
Molecular Weight200.20 g/mol
Exact Mass200.00
IUPAC Namebenzamido sulfite
SMILESO=C(NOS(=O)[O-])c1ccccc1
InChIInChI=1S/C7H7NO4S/c9-7(8-12-13(10)11)6-4-2-1-3-5-6/h1-5H,(H,8,9)(H,10,11)/p-1
InChIKeyZWNDNBVTELULOG-UHFFFAOYSA-M
XLogP0.14
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-benzamidopropyl sulfite
CID 174467673
N-(2-sulfonylethyl)benzamide
CID 151291647
CID 23295394
CID 23295394
benzamido acetate;ethane
CID 91379738
N-(trideuteriomethoxy)benzamide
CID 156666829
lead(2+);bis(N-oxidobenzamide)
CID 174994108
benzohydrazide;molybdenum
CID 162076561
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
2-benzamidobenzenesulfinate
CID 174329903
[2-(sulfinatoamino)acetyl]benzene
CID 23219251
N'-oxidobenzohydrazide
CID 174971627
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of benzamido sulfite?
The IUPAC name of benzamido sulfite (CID 57230748) is benzamido sulfite.
What is the SMILES notation for benzamido sulfite?
The canonical SMILES for benzamido sulfite is O=C(NOS(=O)[O-])c1ccccc1.
What is the InChIKey of benzamido sulfite?
The InChIKey is ZWNDNBVTELULOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO4S/c9-7(8-12-13(10)11)6-4-2-1-3-5-6/h1-5H,(H,8,9)(H,10,11)/p-1.
What are the key properties of benzamido sulfite?
benzamido sulfite has a molecular weight of 200.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido sulfite is sourced from PubChem (CID 57230748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).