N-(1,3-benzodioxol-5-yl)benzenesulfonamide

C13H11NO4S — CID 774088

IUPACN-(1,3-benzodioxol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C13H11NO4S/c15-19(16,11-4-2-1-3-5-11)14-10-6-7-12-13(8-10)18-9-17-12/h1-8,14H,9H2
InChIKeyWEZOCEUXNBHQRC-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.22
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)benzenesulfonamide

N-(1,3-benzodioxol-5-yl)benzenesulfonamide (PubChem CID 774088) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)benzenesulfonamide
PubChem CID774088
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC NameN-(1,3-benzodioxol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C13H11NO4S/c15-19(16,11-4-2-1-3-5-11)14-10-6-7-12-13(8-10)18-9-17-12/h1-8,14H,9H2
InChIKeyWEZOCEUXNBHQRC-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)benzenesulfonamide (CID 774088) is N-(1,3-benzodioxol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)benzenesulfonamide?
The InChIKey is WEZOCEUXNBHQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-19(16,11-4-2-1-3-5-11)14-10-6-7-12-13(8-10)18-9-17-12/h1-8,14H,9H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)benzenesulfonamide?
N-(1,3-benzodioxol-5-yl)benzenesulfonamide has a molecular weight of 277.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)benzenesulfonamide is sourced from PubChem (CID 774088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).