N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide

C13H15NO5S — CID 134062008

IUPACN-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H15NO5S/c1-9(8-18-2)14-20(16,17)11-4-5-12-10(7-11)3-6-13(15)19-12/h3-7,9,14H,8H2,1-2H3
InChIKeyYTPBLGJKVFXRJV-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.11
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide

N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide (PubChem CID 134062008) has the molecular formula C13H15NO5S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
PubChem CID134062008
Molecular FormulaC13H15NO5S
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC NameN-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C13H15NO5S/c1-9(8-18-2)14-20(16,17)11-4-5-12-10(7-11)3-6-13(15)19-12/h3-7,9,14H,8H2,1-2H3
InChIKeyYTPBLGJKVFXRJV-UHFFFAOYSA-N
XLogP1.11
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
CID 134002352
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
1-(1-methoxypropan-2-yl)-3-(2-oxochromen-6-yl)urea
CID 75417545
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
N-(1-methoxypropan-2-yl)-2-(methylamino)quinoline-6-sulfonamide
CID 62163537
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxochromene-6-sulfonamide
CID 55544736
N-[(4-methoxyphenyl)methyl]-2-oxochromene-6-sulfonamide
CID 42588667
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
CID 119992924

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide (CID 134062008) is N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide is COCC(C)NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide?
The InChIKey is YTPBLGJKVFXRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S/c1-9(8-18-2)14-20(16,17)11-4-5-12-10(7-11)3-6-13(15)19-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide?
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide has a molecular weight of 297.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide is sourced from PubChem (CID 134062008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).