N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide

C16H18F2N2O2S — CID 120664086

IUPACN-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C16H18F2N2O2S/c17-14-8-4-9-15(18)16(14)23(21,22)20(11-5-10-19)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12,19H2
InChIKeyYSZIRZDOIAIGEA-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.50
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide

N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide (PubChem CID 120664086) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
PubChem CID120664086
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.39 g/mol
Exact Mass340.11
IUPAC NameN-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C16H18F2N2O2S/c17-14-8-4-9-15(18)16(14)23(21,22)20(11-5-10-19)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12,19H2
InChIKeyYSZIRZDOIAIGEA-UHFFFAOYSA-N
XLogP2.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-aminopropyl(benzyl)sulfamoyl]-6-fluorobenzoate
CID 120664186
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
CID 107366466
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-benzyl-2-methyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664281
N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120664341
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-N-benzyl-2,3-dimethyl-6-nitrobenzenesulfonamide;hydrochloride
CID 120664064
N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide (CID 120664086) is N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide is NCCCN(Cc1ccccc1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide?
The InChIKey is YSZIRZDOIAIGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c17-14-8-4-9-15(18)16(14)23(21,22)20(11-5-10-19)12-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12,19H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide?
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide has a molecular weight of 340.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 120664086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).