N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide

C13H8ClF2NO4S — CID 17432788

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8ClF2NO4S/c14-8-4-12-13(21-6-20-12)5-11(8)17-22(18,19)7-1-2-9(15)10(16)3-7/h1-5,17H,6H2
InChIKeySWNAFAPUPUFLRF-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.15
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide

N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 17432788) has the molecular formula C13H8ClF2NO4S and a molecular weight of 347.73 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
PubChem CID17432788
Molecular FormulaC13H8ClF2NO4S
Molecular Weight347.73 g/mol
Exact Mass346.98
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C13H8ClF2NO4S/c14-8-4-12-13(21-6-20-12)5-11(8)17-22(18,19)7-1-2-9(15)10(16)3-7/h1-5,17H,6H2
InChIKeySWNAFAPUPUFLRF-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide (CID 17432788) is N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(F)c(F)c1.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is SWNAFAPUPUFLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO4S/c14-8-4-12-13(21-6-20-12)5-11(8)17-22(18,19)7-1-2-9(15)10(16)3-7/h1-5,17H,6H2.
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 347.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 17432788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).