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

C15H15NO5S — CID 138018200

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccco1
InChIInChI=1S/C15H15NO5S/c17-22(18,14-2-1-7-21-14)16-15(5-6-15)11-3-4-12-13(10-11)20-9-8-19-12/h1-4,7,10,16H,5-6,8-9H2
InChIKeyJJZZCPOJETUWGO-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.02
Rot. Bonds4

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide (PubChem CID 138018200) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
PubChem CID138018200
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccco1
InChIInChI=1S/C15H15NO5S/c17-22(18,14-2-1-7-21-14)16-15(5-6-15)11-3-4-12-13(10-11)20-9-8-19-12/h1-4,7,10,16H,5-6,8-9H2
InChIKeyJJZZCPOJETUWGO-UHFFFAOYSA-N
XLogP2.02
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]furan-2-sulfonamide
CID 136534230
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)cyclopentyl]-2,6-difluorobenzenesulfonamide
CID 71900938
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-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091248
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]benzamide
CID 113091256
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,2-diphenylacetamide
CID 113091265

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide (CID 138018200) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCCO3)CC1)c1ccco1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide?
The InChIKey is JJZZCPOJETUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c17-22(18,14-2-1-7-21-14)16-15(5-6-15)11-3-4-12-13(10-11)20-9-8-19-12/h1-4,7,10,16H,5-6,8-9H2.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]furan-2-sulfonamide has a molecular weight of 321.35 g/mol, XLogP of 2.02, 4 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]furan-2-sulfonamide is sourced from PubChem (CID 138018200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).