2-benzamidobenzenesulfinate

C13H10NO3S- — CID 174329903

IUPAC2-benzamidobenzenesulfinate
SMILESO=C(Nc1ccccc1S(=O)[O-])c1ccccc1
InChIInChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)18(16)17/h1-9H,(H,14,15)(H,16,17)/p-1
InChIKeyHUHQHKFEBQGIDT-UHFFFAOYSA-M
MW260.29 g/mol
LogP2.18
Rot. Bonds3

About 2-benzamidobenzenesulfinate

2-benzamidobenzenesulfinate (PubChem CID 174329903) has the molecular formula C13H10NO3S- and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-benzamidobenzenesulfinate.

Molecular Properties

Compound Name2-benzamidobenzenesulfinate
PubChem CID174329903
Molecular FormulaC13H10NO3S-
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name2-benzamidobenzenesulfinate
SMILESO=C(Nc1ccccc1S(=O)[O-])c1ccccc1
InChIInChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)18(16)17/h1-9H,(H,14,15)(H,16,17)/p-1
InChIKeyHUHQHKFEBQGIDT-UHFFFAOYSA-M
XLogP2.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidobenzenesulfinate
CID 57024308
N-[2-(methylamino)phenyl]benzamide
CID 101444547
zinc bis(2-benzamidobenzoate)
CID 67586546
N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
zinc N-(2-sulfanylphenyl)benzamide
CID 22756062
2-benzamidobenzamide
CID 702115
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2,3-difluorophenyl)benzamide
CID 139202270
N-[2-(sulfanylmethyl)phenyl]benzamide
CID 173232561
benzamido sulfite
CID 57230748
N-indolizin-8-ylbenzamide
CID 159451185

Frequently Asked Questions

What is the IUPAC name of 2-benzamidobenzenesulfinate?
The IUPAC name of 2-benzamidobenzenesulfinate (CID 174329903) is 2-benzamidobenzenesulfinate.
What is the SMILES notation for 2-benzamidobenzenesulfinate?
The canonical SMILES for 2-benzamidobenzenesulfinate is O=C(Nc1ccccc1S(=O)[O-])c1ccccc1.
What is the InChIKey of 2-benzamidobenzenesulfinate?
The InChIKey is HUHQHKFEBQGIDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO3S/c15-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)18(16)17/h1-9H,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-benzamidobenzenesulfinate?
2-benzamidobenzenesulfinate has a molecular weight of 260.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamidobenzenesulfinate is sourced from PubChem (CID 174329903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).