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

C22H20N2O5S — CID 5017657

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C22H20N2O5S/c1-24(17-9-3-2-4-10-17)30(26,27)18-11-7-8-16(14-18)23-22(25)21-15-28-19-12-5-6-13-20(19)29-21/h2-14,21H,15H2,1H3,(H,23,25)
InChIKeyRRGKONIQNQAZIL-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.29
Rot. Bonds5

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

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 5017657) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID5017657
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1
InChIInChI=1S/C22H20N2O5S/c1-24(17-9-3-2-4-10-17)30(26,27)18-11-7-8-16(14-18)23-22(25)21-15-28-19-12-5-6-13-20(19)29-21/h2-14,21H,15H2,1H3,(H,23,25)
InChIKeyRRGKONIQNQAZIL-UHFFFAOYSA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[methyl(phenyl)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

(3S)-N-[3-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7760069
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
(2R)-4-[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51724229
N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 119676613
3-amino-N-[3-[methyl(phenyl)sulfamoyl]phenyl]cyclopentane-1-carboxamide
CID 119676593
N-[3-[bis(benzenesulfonyl)amino]-4-fluorophenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 166376399
(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1090883
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
(3R)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117122
3-[(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)carbamoyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 42885295
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 5017657) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is RRGKONIQNQAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-24(17-9-3-2-4-10-17)30(26,27)18-11-7-8-16(14-18)23-22(25)21-15-28-19-12-5-6-13-20(19)29-21/h2-14,21H,15H2,1H3,(H,23,25).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 5017657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).