N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide

C11H14F2N2O2S — CID 115456954

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
SMILESNCC1(CNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H14F2N2O2S/c12-8-1-2-9(13)10(5-8)18(16,17)15-7-11(6-14)3-4-11/h1-2,5,15H,3-4,6-7,14H2
InChIKeyJYKSQHFRAIEVEM-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.98
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 115456954) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
PubChem CID115456954
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
SMILESNCC1(CNS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C11H14F2N2O2S/c12-8-1-2-9(13)10(5-8)18(16,17)15-7-11(6-14)3-4-11/h1-2,5,15H,3-4,6-7,14H2
InChIKeyJYKSQHFRAIEVEM-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456575
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,4-difluorobenzenesulfonamide
CID 113313602
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
2-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-methylbenzenesulfonamide
CID 115755603
2,3,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115455387
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
2-chloro-N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluorobenzenesulfonamide
CID 105400715
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide (CID 115456954) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide is NCC1(CNS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is JYKSQHFRAIEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c12-8-1-2-9(13)10(5-8)18(16,17)15-7-11(6-14)3-4-11/h1-2,5,15H,3-4,6-7,14H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 276.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 115456954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).