methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate

C13H11ClN2O4S — CID 43422913

IUPACmethyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-20-13(17)9-5-2-3-6-10(9)16-21(18,19)11-7-4-8-15-12(11)14/h2-8,16H,1H3
InChIKeyFGOUVMVJJXKBLQ-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate

methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate (PubChem CID 43422913) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
PubChem CID43422913
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Namemethyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-20-13(17)9-5-2-3-6-10(9)16-21(18,19)11-7-4-8-15-12(11)14/h2-8,16H,1H3
InChIKeyFGOUVMVJJXKBLQ-UHFFFAOYSA-N
XLogP2.32
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.32
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

N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-methylbenzamide
CID 60721981
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 24650659
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 24621397
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 2-[(2,4-dichlorophenyl)sulfamoyl]benzoate
CID 54141617
2-chloro-N-(2-propylphenyl)pyridine-3-sulfonamide
CID 60749011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate (CID 43422913) is methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate?
The InChIKey is FGOUVMVJJXKBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-20-13(17)9-5-2-3-6-10(9)16-21(18,19)11-7-4-8-15-12(11)14/h2-8,16H,1H3.
What are the key properties of methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate?
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate has a molecular weight of 326.76 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate is sourced from PubChem (CID 43422913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).