N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide

C12H14F2N2O4S — CID 43107627

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)C1CCCNC1
InChIInChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-8(6-11(10)20-12)16-21(17,18)9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7H2
InChIKeyDITKILPOUCEOGG-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.50
Rot. Bonds3

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide (PubChem CID 43107627) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
PubChem CID43107627
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)C1CCCNC1
InChIInChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-8(6-11(10)20-12)16-21(17,18)9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7H2
InChIKeyDITKILPOUCEOGG-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-sulfonamide
CID 24709184
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-3-sulfonamide
CID 43093846
N-(4-fluorophenyl)piperidine-3-sulfonamide
CID 24705038
N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
CID 112739564
N-naphthalen-2-ylpyrrolidine-3-sulfonamide
CID 65420043
N-(5-fluoro-2-pyridinyl)piperidine-3-sulfonamide
CID 65481470
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-(2-fluoro-4-methylphenyl)piperidine-3-sulfonamide
CID 43114273
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61371585
2-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 8841662
N-(2,5-dimethylphenyl)piperidine-3-sulfonamide
CID 24699757

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide (CID 43107627) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OC(F)(F)O2)C1CCCNC1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide?
The InChIKey is DITKILPOUCEOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-8(6-11(10)20-12)16-21(17,18)9-2-1-5-15-7-9/h3-4,6,9,15-16H,1-2,5,7H2.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide has a molecular weight of 320.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 43107627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).