N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C23H22N2O7S — CID 2915104

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1
InChIInChI=1S/C23H22N2O7S/c1-29-16-9-12-19(30-2)18(13-16)25-33(27,28)17-10-7-15(8-11-17)24-23(26)22-14-31-20-5-3-4-6-21(20)32-22/h3-13,22,25H,14H2,1-2H3,(H,24,26)
InChIKeySFORXSDIMMLQPP-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2915104) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2915104
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1
InChIInChI=1S/C23H22N2O7S/c1-29-16-9-12-19(30-2)18(13-16)25-33(27,28)17-10-7-15(8-11-17)24-23(26)22-14-31-20-5-3-4-6-21(20)32-22/h3-13,22,25H,14H2,1-2H3,(H,24,26)
InChIKeySFORXSDIMMLQPP-UHFFFAOYSA-N
XLogP3.28
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282755
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1010065
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 137353897
2-(4-tert-Butylsulfamoyl-phenoxy)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 646484
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 1083019
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1084691
2-[Benzenesulfonyl-(2-ethoxy-phenyl)-amino]-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1120551
2-[Benzenesulfonyl-(2-ethoxy-phenyl)-amino]-N-(3,4-dimethoxy-phenyl)-acetamide
CID 1120553
N-{4-[(diallylamino)sulfonyl]phenyl}-2-(2-methoxyphenoxy)acetamide
CID 1226875
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 1317274
N-(2,5-dimethoxyphenyl)-2-{4-[(isopropylamino)sulfonyl]phenoxy}acetamide
CID 1317857

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2915104) is N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is SFORXSDIMMLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-29-16-9-12-19(30-2)18(13-16)25-33(27,28)17-10-7-15(8-11-17)24-23(26)22-14-31-20-5-3-4-6-21(20)32-22/h3-13,22,25H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2915104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).