5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide

C7H4ClF2NO4S — CID 97109588

IUPAC5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide
SMILESNS(=O)(=O)c1c(Cl)ccc2c1OC(F)(F)O2
InChIInChI=1S/C7H4ClF2NO4S/c8-3-1-2-4-5(6(3)16(11,12)13)15-7(9,10)14-4/h1-2H,(H2,11,12,13)
InChIKeyBTIMQBKALBXGSL-UHFFFAOYSA-N
MW271.63 g/mol
LogP1.31
Rot. Bonds1

About 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide

5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide (PubChem CID 97109588) has the molecular formula C7H4ClF2NO4S and a molecular weight of 271.63 g/mol. Its IUPAC name is 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide
PubChem CID97109588
Molecular FormulaC7H4ClF2NO4S
Molecular Weight271.63 g/mol
Exact Mass270.95
IUPAC Name5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide
SMILESNS(=O)(=O)c1c(Cl)ccc2c1OC(F)(F)O2
InChIInChI=1S/C7H4ClF2NO4S/c8-3-1-2-4-5(6(3)16(11,12)13)15-7(9,10)14-4/h1-2H,(H2,11,12,13)
InChIKeyBTIMQBKALBXGSL-UHFFFAOYSA-N
XLogP1.31
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide?
The IUPAC name of 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide (CID 97109588) is 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide.
What is the SMILES notation for 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide?
The canonical SMILES for 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide is NS(=O)(=O)c1c(Cl)ccc2c1OC(F)(F)O2.
What is the InChIKey of 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide?
The InChIKey is BTIMQBKALBXGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO4S/c8-3-1-2-4-5(6(3)16(11,12)13)15-7(9,10)14-4/h1-2H,(H2,11,12,13).
What are the key properties of 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide?
5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide has a molecular weight of 271.63 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-difluoro-1,3-benzodioxole-4-sulfonamide is sourced from PubChem (CID 97109588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).