N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide

C11H15NO4S — CID 60640203

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO4S/c1-2-7-17(13,14)12-9-3-4-10-11(8-9)16-6-5-15-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyBXKPBDSJHUWBLP-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.61
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide (PubChem CID 60640203) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
PubChem CID60640203
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C11H15NO4S/c1-2-7-17(13,14)12-9-3-4-10-11(8-9)16-6-5-15-10/h3-4,8,12H,2,5-7H2,1H3
InChIKeyBXKPBDSJHUWBLP-UHFFFAOYSA-N
XLogP1.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113050339
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)butane-1-sulfonamide
CID 110639705
7-(dimethylsulfamoylamino)-3,4-dihydro-2H-1,5-benzodioxepine
CID 110776719
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide
CID 123515584
methyl 4-(1,3-benzodioxol-5-ylsulfamoyl)butanoate
CID 61460557

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide (CID 60640203) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
The InChIKey is BXKPBDSJHUWBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-7-17(13,14)12-9-3-4-10-11(8-9)16-6-5-15-10/h3-4,8,12H,2,5-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide is sourced from PubChem (CID 60640203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).