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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Related Compounds

4-(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)-2,2-difluoro-5-methyl-1,3-benzodioxole
CID 90686715
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-sulfonamide
CID 124928506
2,2-difluoro-1,3-benzodioxole-5-sulfonyl chloride
CID 22500053
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfamoylbenzamide
CID 26954340
2-chloro-3-[[(2,2-difluoro-1,3-benzodioxol-4-yl)methylamino]methyl]phenol
CID 167991337
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
2,2-difluoro-6-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 150669089
2-chloro-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CID 25331541
2-chloro-1,3-dimethylbenzene;2,2-difluoro-4-methyl-1,3-benzodioxole;2-fluoro-1,3-dimethylbenzene
CID 158133029
2-chloro-6-(2-chlorophenyl)benzenesulfonamide
CID 13116834
6-bromo-7-chloro-2,2-difluoro-1,3-benzodioxol-5-amine
CID 118143193
2-(2,2,5-trifluoro-1,3-benzodioxol-4-yl)ethanol
CID 10680418

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).