N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide

C11H16F2N2O2S — CID 107366466

IUPACN-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c12-11(13)18(16,17)15(8-4-7-14)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2
InChIKeyOBBOBOOZJQLSQT-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.39
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide (PubChem CID 107366466) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
PubChem CID107366466
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(Cc1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C11H16F2N2O2S/c12-11(13)18(16,17)15(8-4-7-14)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2
InChIKeyOBBOBOOZJQLSQT-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N-(3-aminopropyl)-N-benzylcyclopentanesulfonamide
CID 107366552
N-(3-aminopropyl)-1,1-difluoro-N-phenylmethanesulfonamide
CID 43135974
N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-(3-aminopropyl)-N-benzylpiperidine-1-sulfonamide
CID 107366720
N-(3-aminopropyl)-N-benzyl-2-methoxyethanesulfonamide;hydrochloride
CID 120664287
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
ethyl N-[3-aminopropyl(benzyl)sulfamoyl]carbamate
CID 107366642
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
methyl 3-[3-aminopropyl(benzyl)sulfamoyl]propanoate
CID 107366691
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide (CID 107366466) is N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide is NCCCN(Cc1ccccc1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide?
The InChIKey is OBBOBOOZJQLSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c12-11(13)18(16,17)15(8-4-7-14)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-benzyl-1,1-difluoromethanesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.39, 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-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107366466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).