methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate

C11H9ClN2O4S2 — CID 24621397

IUPACmethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3
InChIKeyNZXYTRXVKXELMS-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.38
Rot. Bonds4

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

methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 24621397) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID24621397
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Namemethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3
InChIKeyNZXYTRXVKXELMS-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-amino-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 65427405
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913
methyl 3-[(2,5-dichlorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 1358389
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 38890684
methyl 3-[(2,5-difluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 6469470
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61051149

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate (CID 24621397) is methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is NZXYTRXVKXELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-18-11(15)9-7(4-6-19-9)14-20(16,17)8-3-2-5-13-10(8)12/h2-6,14H,1H3.
What are the key properties of methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 332.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24621397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).