methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate

C15H11NO6S2 — CID 30713838

IUPACmethyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H11NO6S2/c1-21-15(18)14-11(6-7-23-14)16-24(19,20)10-3-4-12-9(8-10)2-5-13(17)22-12/h2-8,16H,1H3
InChIKeyHWLHRMYKJUCNAI-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.44
Rot. Bonds4

About methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate

methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 30713838) has the molecular formula C15H11NO6S2 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
PubChem CID30713838
Molecular FormulaC15H11NO6S2
Molecular Weight365.39 g/mol
Exact Mass365.00
IUPAC Namemethyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C15H11NO6S2/c1-21-15(18)14-11(6-7-23-14)16-24(19,20)10-3-4-12-9(8-10)2-5-13(17)22-12/h2-8,16H,1H3
InChIKeyHWLHRMYKJUCNAI-UHFFFAOYSA-N
XLogP2.44
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 16615870
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxochromene-6-sulfonamide
CID 30784509
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
CID 30713734
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]thiophene-2-carboxylate
CID 43255563

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate (CID 30713838) is methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is HWLHRMYKJUCNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6S2/c1-21-15(18)14-11(6-7-23-14)16-24(19,20)10-3-4-12-9(8-10)2-5-13(17)22-12/h2-8,16H,1H3.
What are the key properties of methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 30713838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).