N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide

C16H13NO5S — CID 935598

IUPACN-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C16H13NO5S/c1-21-15-5-3-2-4-13(15)17-23(19,20)12-7-8-14-11(10-12)6-9-16(18)22-14/h2-10,17H,1H3
InChIKeyXRRSSVUSTIUQBG-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.60
Rot. Bonds4

About N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide

N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide (PubChem CID 935598) has the molecular formula C16H13NO5S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide
PubChem CID935598
Molecular FormulaC16H13NO5S
Molecular Weight331.35 g/mol
Exact Mass331.05
IUPAC NameN-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C16H13NO5S/c1-21-15-5-3-2-4-13(15)17-23(19,20)12-7-8-14-11(10-12)6-9-16(18)22-14/h2-10,17H,1H3
InChIKeyXRRSSVUSTIUQBG-UHFFFAOYSA-N
XLogP2.60
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide (CID 935598) is N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide?
The InChIKey is XRRSSVUSTIUQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S/c1-21-15-5-3-2-4-13(15)17-23(19,20)12-7-8-14-11(10-12)6-9-16(18)22-14/h2-10,17H,1H3.
What are the key properties of N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide?
N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide has a molecular weight of 331.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 935598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).