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

C20H23NO5S — CID 113091355

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(2)26-16-4-6-17(7-5-16)27(22,23)21-20(9-10-20)15-3-8-18-19(13-15)25-12-11-24-18/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyPYTWTRHMRNHZGL-UHFFFAOYSA-N
MW389.47 g/mol
LogP3.21
Rot. Bonds6

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 113091355) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID113091355
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(2)26-16-4-6-17(7-5-16)27(22,23)21-20(9-10-20)15-3-8-18-19(13-15)25-12-11-24-18/h3-8,13-14,21H,9-12H2,1-2H3
InChIKeyPYTWTRHMRNHZGL-UHFFFAOYSA-N
XLogP3.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091319
N-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110446596
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335
N-[1-(4-chlorophenyl)cyclopropyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113091090
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
CID 138018200
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091359
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
N-[(3R)-3-(4-fluorophenyl)pyrrolidin-3-yl]-4-propan-2-yloxybenzenesulfonamide
CID 169225033
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
CID 71900938
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
(4-propan-2-ylphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate
CID 26944194

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide (CID 113091355) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PYTWTRHMRNHZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14(2)26-16-4-6-17(7-5-16)27(22,23)21-20(9-10-20)15-3-8-18-19(13-15)25-12-11-24-18/h3-8,13-14,21H,9-12H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 389.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 113091355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).