2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide

C13H8ClF2NO4S — CID 8841662

IUPAC2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1Cl
InChIInChI=1S/C13H8ClF2NO4S/c14-9-3-1-2-4-12(9)22(18,19)17-8-5-6-10-11(7-8)21-13(15,16)20-10/h1-7,17H
InChIKeyKLJMSLZCICXITG-UHFFFAOYSA-N
MW347.73 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide

2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide (PubChem CID 8841662) has the molecular formula C13H8ClF2NO4S and a molecular weight of 347.73 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
PubChem CID8841662
Molecular FormulaC13H8ClF2NO4S
Molecular Weight347.73 g/mol
Exact Mass346.98
IUPAC Name2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1Cl
InChIInChI=1S/C13H8ClF2NO4S/c14-9-3-1-2-4-12(9)22(18,19)17-8-5-6-10-11(7-8)21-13(15,16)20-10/h1-7,17H
InChIKeyKLJMSLZCICXITG-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide (CID 8841662) is 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide?
The InChIKey is KLJMSLZCICXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO4S/c14-9-3-1-2-4-12(9)22(18,19)17-8-5-6-10-11(7-8)21-13(15,16)20-10/h1-7,17H.
What are the key properties of 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide?
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide has a molecular weight of 347.73 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide is sourced from PubChem (CID 8841662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).