N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide

C11H15NO4S — CID 22773282

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO4S/c1-3-17(13,14)12-8(2)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBJAYYYLPKKMYSW-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.42
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide (PubChem CID 22773282) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
PubChem CID22773282
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO4S/c1-3-17(13,14)12-8(2)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12H,3,7H2,1-2H3
InChIKeyBJAYYYLPKKMYSW-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]butane-1-sulfonamide
CID 22773283
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 27516973
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 107651412
3-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1-sulfonamide
CID 60959785
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 42933754
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperazine-1-sulfonamide
CID 61253703
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide (CID 22773282) is N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide?
The InChIKey is BJAYYYLPKKMYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-17(13,14)12-8(2)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12H,3,7H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 22773282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).