N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide

C19H23NO5S — CID 113091653

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C19H23NO5S/c1-13-11-15(23-4)6-8-18(13)26(21,22)20-19(2,3)14-5-7-16-17(12-14)25-10-9-24-16/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyWNTRWFMAAZXUHE-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113091653) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113091653
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)c(C)c1
InChIInChI=1S/C19H23NO5S/c1-13-11-15(23-4)6-8-18(13)26(21,22)20-19(2,3)14-5-7-16-17(12-14)25-10-9-24-16/h5-8,11-12,20H,9-10H2,1-4H3
InChIKeyWNTRWFMAAZXUHE-UHFFFAOYSA-N
XLogP2.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide 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-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 56511564
N-[2-(4-methoxyphenyl)propan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091712
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-5-ethylthiophene-2-sulfonamide
CID 56511437
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561897
N-tert-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758916
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113197929
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide (CID 113091653) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)c2ccc3c(c2)OCCO3)c(C)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is WNTRWFMAAZXUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-11-15(23-4)6-8-18(13)26(21,22)20-19(2,3)14-5-7-16-17(12-14)25-10-9-24-16/h5-8,11-12,20H,9-10H2,1-4H3.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113091653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).