N-methyl-2-oxochromene-6-sulfonamide

C10H9NO4S — CID 43245047

IUPACN-methyl-2-oxochromene-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H9NO4S/c1-11-16(13,14)8-3-4-9-7(6-8)2-5-10(12)15-9/h2-6,11H,1H3
InChIKeyJWGFLFMMBZUTBR-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.70
Rot. Bonds2

About N-methyl-2-oxochromene-6-sulfonamide

N-methyl-2-oxochromene-6-sulfonamide (PubChem CID 43245047) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is N-methyl-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxochromene-6-sulfonamide
PubChem CID43245047
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC NameN-methyl-2-oxochromene-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C10H9NO4S/c1-11-16(13,14)8-3-4-9-7(6-8)2-5-10(12)15-9/h2-6,11H,1H3
InChIKeyJWGFLFMMBZUTBR-UHFFFAOYSA-N
XLogP0.70
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
N-(5-methyl-1H-pyrazol-3-yl)-2-oxochromene-6-sulfonamide
CID 63823163
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxochromene-6-sulfonamide
CID 30784509

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxochromene-6-sulfonamide?
The IUPAC name of N-methyl-2-oxochromene-6-sulfonamide (CID 43245047) is N-methyl-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-methyl-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-methyl-2-oxochromene-6-sulfonamide is CNS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-methyl-2-oxochromene-6-sulfonamide?
The InChIKey is JWGFLFMMBZUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-11-16(13,14)8-3-4-9-7(6-8)2-5-10(12)15-9/h2-6,11H,1H3.
What are the key properties of N-methyl-2-oxochromene-6-sulfonamide?
N-methyl-2-oxochromene-6-sulfonamide has a molecular weight of 239.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 43245047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).