N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide

C19H19F2NO4S — CID 71900938

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C19H19F2NO4S/c20-14-4-3-5-15(21)18(14)27(23,24)22-19(8-1-2-9-19)13-6-7-16-17(12-13)26-11-10-25-16/h3-7,12,22H,1-2,8-11H2
InChIKeyQAQOZAFIUXZISK-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.48
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide (PubChem CID 71900938) has the molecular formula C19H19F2NO4S and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
PubChem CID71900938
Molecular FormulaC19H19F2NO4S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1c(F)cccc1F
InChIInChI=1S/C19H19F2NO4S/c20-14-4-3-5-15(21)18(14)27(23,24)22-19(8-1-2-9-19)13-6-7-16-17(12-13)26-11-10-25-16/h3-7,12,22H,1-2,8-11H2
InChIKeyQAQOZAFIUXZISK-UHFFFAOYSA-N
XLogP3.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzenesulfonamide
CID 113091359
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,6-difluorobenzenesulfonamide
CID 3714475
2,6-difluoro-N-(1-phenylcyclopropyl)benzenesulfonamide
CID 166183250
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]-4-propan-2-yloxybenzenesulfonamide
CID 113091355
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335
N-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-3-chloro-2-hydroxybenzenesulfonamide
CID 167769834
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-methylsulfanylbenzamide
CID 112806079
3-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]amino]methyl]benzamide
CID 119110648
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]methyl]-2,6-difluorobenzenesulfonamide
CID 25243778

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide (CID 71900938) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is QAQOZAFIUXZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4S/c20-14-4-3-5-15(21)18(14)27(23,24)22-19(8-1-2-9-19)13-6-7-16-17(12-13)26-11-10-25-16/h3-7,12,22H,1-2,8-11H2.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 395.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 71900938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).