2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide

C12H14F2N2O4S — CID 106059440

IUPAC2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-9(7-11(10)20-12)16-21(17,18)6-5-15-8-1-2-8/h3-4,7-8,15-16H,1-2,5-6H2
InChIKeyJEGWEFRLCJVYFY-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.50
Rot. Bonds6

About 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide

2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide (PubChem CID 106059440) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
PubChem CID106059440
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-9(7-11(10)20-12)16-21(17,18)6-5-15-8-1-2-8/h3-4,7-8,15-16H,1-2,5-6H2
InChIKeyJEGWEFRLCJVYFY-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(methylamino)propane-1-sulfonamide
CID 106059443
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
2,2-difluoro-N-(2-propylsulfonylethyl)-1,3-benzodioxol-5-amine
CID 106723033
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(2,2-difluoro-1,3-benzodioxol-5-yl)piperidine-3-sulfonamide
CID 43107627
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 8841643
2-(cyclopropylamino)-N-(2,6-difluorophenyl)ethanesulfonamide
CID 114134282
2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 106074519
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 18092899
N-(3-bromophenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106061607
2,2-difluoro-N-(4-methylcycloheptyl)-1,3-benzodioxol-5-amine
CID 65080837

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide (CID 106059440) is 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide is O=S(=O)(CCNC1CC1)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide?
The InChIKey is JEGWEFRLCJVYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-12(14)19-10-4-3-9(7-11(10)20-12)16-21(17,18)6-5-15-8-1-2-8/h3-4,7-8,15-16H,1-2,5-6H2.
What are the key properties of 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide?
2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide has a molecular weight of 320.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide is sourced from PubChem (CID 106059440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).