N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide

C16H17NO4S — CID 110752878

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(c1ccc2c(c1)OCCO2)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-17(22(18,19)12-13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyPLLNMWDXAAPCBP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.42
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide (PubChem CID 110752878) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
PubChem CID110752878
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide
SMILESCN(c1ccc2c(c1)OCCO2)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-17(22(18,19)12-13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3
InChIKeyPLLNMWDXAAPCBP-UHFFFAOYSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide 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-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanesulfonamide
CID 110752759
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-1-phenylmethanesulfonamide
CID 33038839
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-methylpropanamide
CID 34284353
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 100522840
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-benzyl-N-methylpropanamide
CID 113133000

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide (CID 110752878) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide is CN(c1ccc2c(c1)OCCO2)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is PLLNMWDXAAPCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-17(22(18,19)12-13-5-3-2-4-6-13)14-7-8-15-16(11-14)21-10-9-20-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 319.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 110752878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).