methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate

C13H10Cl2N2O4S — CID 4730940

IUPACmethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-21-13(18)9-4-2-3-5-11(9)17-22(19,20)8-6-10(14)12(15)16-7-8/h2-7,17H,1H3
InChIKeyLCBGNGMBMFGQDU-UHFFFAOYSA-N
MW361.21 g/mol
LogP2.98
Rot. Bonds4

About methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate

methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate (PubChem CID 4730940) has the molecular formula C13H10Cl2N2O4S and a molecular weight of 361.21 g/mol. Its IUPAC name is methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
PubChem CID4730940
Molecular FormulaC13H10Cl2N2O4S
Molecular Weight361.21 g/mol
Exact Mass359.97
IUPAC Namemethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2O4S/c1-21-13(18)9-4-2-3-5-11(9)17-22(19,20)8-6-10(14)12(15)16-7-8/h2-7,17H,1H3
InChIKeyLCBGNGMBMFGQDU-UHFFFAOYSA-N
XLogP2.98
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 43431261
methyl 2-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423372
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
N-(5-acetyl-2-methylphenyl)-5,6-dichloropyridine-3-sulfonamide
CID 110618393
methyl 2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoate
CID 63000517
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
CID 6503946

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate (CID 4730940) is methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate?
The InChIKey is LCBGNGMBMFGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O4S/c1-21-13(18)9-4-2-3-5-11(9)17-22(19,20)8-6-10(14)12(15)16-7-8/h2-7,17H,1H3.
What are the key properties of methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate?
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate has a molecular weight of 361.21 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate is sourced from PubChem (CID 4730940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).