N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide

C10H13NO4S — CID 47372906

IUPACN-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-4-3-5-9-10(8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyRXDRBUAZUQQQRQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.85
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide

N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide (PubChem CID 47372906) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
PubChem CID47372906
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-4-3-5-9-10(8)15-7-14-9/h3-5,11H,2,6-7H2,1H3
InChIKeyRXDRBUAZUQQQRQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-bromobenzenesulfonamide
CID 61210217
N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzenesulfonamide
CID 61216385
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
N-(1,3-benzodioxol-4-ylmethyl)-N-methylsulfamoyl fluoride
CID 154879529
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720806
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
3-(1,3-benzodioxol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 114155406
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide (CID 47372906) is N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide is CCS(=O)(=O)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide?
The InChIKey is RXDRBUAZUQQQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-4-3-5-9-10(8)15-7-14-9/h3-5,11H,2,6-7H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide?
N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 47372906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).