4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide

C21H22N2O6S — CID 177381246

IUPAC4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H22N2O6S/c22-30(25,26)18-4-1-15(2-5-18)14-28-17-3-6-19-16(11-21(24)29-20(19)12-17)13-23-7-9-27-10-8-23/h1-6,11-12H,7-10,13-14H2,(H2,22,25,26)
InChIKeyDTIZVTGOGWVWFS-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.85
Rot. Bonds6

About 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide

4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide (PubChem CID 177381246) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide
PubChem CID177381246
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H22N2O6S/c22-30(25,26)18-4-1-15(2-5-18)14-28-17-3-6-19-16(11-21(24)29-20(19)12-17)13-23-7-9-27-10-8-23/h1-6,11-12H,7-10,13-14H2,(H2,22,25,26)
InChIKeyDTIZVTGOGWVWFS-UHFFFAOYSA-N
XLogP1.85
TPSA112.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide 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

N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4-methylbenzenesulfonamide
CID 9981024
5-METHOXY-3-{N-PROPYL-N-[2-(4-TOLUENESUlFONYLAMINO)ETHYL]AMINO}CHROMAN
CID 10364722
N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4-methylbenzenesulfonamide;oxalic acid
CID 44295679
5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman
CID 9980269
N-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]-4-methylbenzenesulfonamide;oxalic acid
CID 44295874
7-(2-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)-2-oxoethoxy)-4-methyl-2H-chromen-2-one
CID 662320
4-Methyl-7-{[4-(morpholinosulfonyl)benzyl]oxy}-2H-chromen-2-one
CID 1301021
2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4870882
2-[(4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4908395
4-[[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxychromen-2-one
CID 5688422
N-[4-(5-methoxyspiro[2,4-dihydrochromene-3,2'-piperidine]-1'-yl)butyl]-4-methylbenzenesulfonamide
CID 10527884
N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide;oxalic acid
CID 44296097

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide?
The IUPAC name of 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide (CID 177381246) is 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide?
The canonical SMILES for 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(COc2ccc3c(CN4CCOCC4)cc(=O)oc3c2)cc1.
What is the InChIKey of 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide?
The InChIKey is DTIZVTGOGWVWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c22-30(25,26)18-4-1-15(2-5-18)14-28-17-3-6-19-16(11-21(24)29-20(19)12-17)13-23-7-9-27-10-8-23/h1-6,11-12H,7-10,13-14H2,(H2,22,25,26).
What are the key properties of 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide?
4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide has a molecular weight of 430.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide is sourced from PubChem (CID 177381246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).