N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide

C19H21NO6S — CID 113091335

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C19H21NO6S/c1-23-14-4-6-16(24-2)18(12-14)27(21,22)20-19(7-8-19)13-3-5-15-17(11-13)26-10-9-25-15/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyUJUREAGBNOBNFL-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.44
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 113091335) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID113091335
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)c1
InChIInChI=1S/C19H21NO6S/c1-23-14-4-6-16(24-2)18(12-14)27(21,22)20-19(7-8-19)13-3-5-15-17(11-13)26-10-9-25-15/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyUJUREAGBNOBNFL-UHFFFAOYSA-N
XLogP2.44
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091359
4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091319
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
CID 138018200
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113090862
2,5-dimethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 27450418
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 30366359
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
CID 71900938
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091090
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide (CID 113091335) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)c1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is UJUREAGBNOBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-23-14-4-6-16(24-2)18(12-14)27(21,22)20-19(7-8-19)13-3-5-15-17(11-13)26-10-9-25-15/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 113091335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).