N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H15NO4S — CID 2428155

IUPACN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h2-8,11H,9-10H2,1H3
InChIKeyHXFDGXFPVQLJKO-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2428155) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2428155
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC NameN-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H15NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h2-8,11H,9-10H2,1H3
InChIKeyHXFDGXFPVQLJKO-UHFFFAOYSA-N
XLogP2.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dasa-58
CID 44543605
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
CID 1148713
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
3,4-dimethoxy-N-(4-(piperidin-1-ylsulfonyl)phenyl)benzenesulfonamide
CID 663081
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1201987
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
N-ethyl-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44433348
3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylaniline
CID 44543608
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
CID 852232

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2428155) is N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is HXFDGXFPVQLJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h2-8,11H,9-10H2,1H3.
What are the key properties of N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).