4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide

C17H18N2O5S — CID 7908167

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)17(20)12-3-5-13(6-4-12)18-25(21,22)14-7-8-15-16(11-14)24-10-9-23-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyIZDDMHDOAUYUSK-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.96
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide (PubChem CID 7908167) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide
PubChem CID7908167
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)17(20)12-3-5-13(6-4-12)18-25(21,22)14-7-8-15-16(11-14)24-10-9-23-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyIZDDMHDOAUYUSK-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
CID 6458112
S-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-2-oxoethyl] ethanethioate
CID 11509729
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-N-propyl-benzamide
CID 647880
3-methoxy-N-[3-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 984918
Methyl 3-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)-4-methylbenzoate
CID 1041318
N-[2-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1091452
4-methoxy-N-methyl-N-[4-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1095430
4-methoxy-N-methyl-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzenesulfonamide
CID 1289291
3,4-dimethoxy-N-methyl-N-[4-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1289307
2-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2140069

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide (CID 7908167) is 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide?
The InChIKey is IZDDMHDOAUYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(2)17(20)12-3-5-13(6-4-12)18-25(21,22)14-7-8-15-16(11-14)24-10-9-23-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide?
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide has a molecular weight of 362.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 7908167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).