2,6-dichloro-3-(sulfinoamino)benzoic acid

C7H5Cl2NO4S — CID 18517496

IUPAC2,6-dichloro-3-(sulfinoamino)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(NS(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-3-1-2-4(10-15(13)14)6(9)5(3)7(11)12/h1-2,10H,(H,11,12)(H,13,14)
InChIKeyOWJBLURRWMOSIK-UHFFFAOYSA-N
MW270.09 g/mol
LogP2.24
Rot. Bonds3

About 2,6-dichloro-3-(sulfinoamino)benzoic acid

2,6-dichloro-3-(sulfinoamino)benzoic acid (PubChem CID 18517496) has the molecular formula C7H5Cl2NO4S and a molecular weight of 270.09 g/mol. Its IUPAC name is 2,6-dichloro-3-(sulfinoamino)benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-(sulfinoamino)benzoic acid
PubChem CID18517496
Molecular FormulaC7H5Cl2NO4S
Molecular Weight270.09 g/mol
Exact Mass268.93
IUPAC Name2,6-dichloro-3-(sulfinoamino)benzoic acid
SMILESO=C(O)c1c(Cl)ccc(NS(=O)O)c1Cl
InChIInChI=1S/C7H5Cl2NO4S/c8-3-1-2-4(10-15(13)14)6(9)5(3)7(11)12/h1-2,10H,(H,11,12)(H,13,14)
InChIKeyOWJBLURRWMOSIK-UHFFFAOYSA-N
XLogP2.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-(2,2-dicyanoethenylamino)benzoic acid
CID 168541614
3,6-dichloro-2-hydroxybenzoic acid
CID 162211371
3-(bromomethyl)-2,6-dichlorobenzoic acid
CID 171020155
CID 11251659
CID 11251659
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
potassium 2-carboxy-3,6-dichlorobenzoate
CID 118064263
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
4-chloro-2-methoxycarbonyl-1-(sulfinoamino)benzene
CID 71212919
2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]benzoic acid
CID 58483267
2,6-dichloro-3-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoic acid
CID 86658673
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
2-amino-6-chloro-3-hydroxybenzoic acid
CID 71381631

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(sulfinoamino)benzoic acid?
The IUPAC name of 2,6-dichloro-3-(sulfinoamino)benzoic acid (CID 18517496) is 2,6-dichloro-3-(sulfinoamino)benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-(sulfinoamino)benzoic acid?
The canonical SMILES for 2,6-dichloro-3-(sulfinoamino)benzoic acid is O=C(O)c1c(Cl)ccc(NS(=O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(sulfinoamino)benzoic acid?
The InChIKey is OWJBLURRWMOSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2NO4S/c8-3-1-2-4(10-15(13)14)6(9)5(3)7(11)12/h1-2,10H,(H,11,12)(H,13,14).
What are the key properties of 2,6-dichloro-3-(sulfinoamino)benzoic acid?
2,6-dichloro-3-(sulfinoamino)benzoic acid has a molecular weight of 270.09 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(sulfinoamino)benzoic acid is sourced from PubChem (CID 18517496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).