2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride

C15H11ClN2O5S — CID 175175299

IUPAC2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride
SMILESNC(=O)c1cccc2ccc(=O)oc12.O=S(=O)(Cl)c1ccccn1
InChIInChI=1S/C10H7NO3.C5H4ClNO2S/c11-10(13)7-3-1-2-6-4-5-8(12)14-9(6)7;6-10(8,9)5-3-1-2-4-7-5/h1-5H,(H2,11,13);1-4H
InChIKeyLHSFJBCLHHZMKK-UHFFFAOYSA-N
MW366.78 g/mol
LogP1.90
Rot. Bonds2

About 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride

2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride (PubChem CID 175175299) has the molecular formula C15H11ClN2O5S and a molecular weight of 366.78 g/mol. Its IUPAC name is 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride
PubChem CID175175299
Molecular FormulaC15H11ClN2O5S
Molecular Weight366.78 g/mol
Exact Mass366.01
IUPAC Name2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride
SMILESNC(=O)c1cccc2ccc(=O)oc12.O=S(=O)(Cl)c1ccccn1
InChIInChI=1S/C10H7NO3.C5H4ClNO2S/c11-10(13)7-3-1-2-6-4-5-8(12)14-9(6)7;6-10(8,9)5-3-1-2-4-7-5/h1-5H,(H2,11,13);1-4H
InChIKeyLHSFJBCLHHZMKK-UHFFFAOYSA-N
XLogP1.90
TPSA120.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride?
The IUPAC name of 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride (CID 175175299) is 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride.
What is the SMILES notation for 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride?
The canonical SMILES for 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride is NC(=O)c1cccc2ccc(=O)oc12.O=S(=O)(Cl)c1ccccn1.
What is the InChIKey of 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride?
The InChIKey is LHSFJBCLHHZMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3.C5H4ClNO2S/c11-10(13)7-3-1-2-6-4-5-8(12)14-9(6)7;6-10(8,9)5-3-1-2-4-7-5/h1-5H,(H2,11,13);1-4H.
What are the key properties of 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride?
2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride has a molecular weight of 366.78 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxochromene-8-carboxamide;pyridine-2-sulfonyl chloride is sourced from PubChem (CID 175175299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).